(1-methylpiperidin-3-yl)methanamine (CED0064489)

Record Information
Version1.0
Creation Date2026-08-23 22:23:58 UTC
Update Date2026-08-23 22:23:58 UTC
SynCED IDCED0064489
Secondary Accession Numbers
  • CHEM239999
Identification
Common Name(1-methylpiperidin-3-yl)methanamine
ClassSmall Molecule
Description
(1-methylpiperidin-3-yl)methanamine belongs to the piperidines, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C7H16N2 and an average molecular weight of 128.22 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H16N2
Average Molecular Mass128.220 g/mol
Monoisotopic Mass128.131 g/mol
CAS Registry Number14613-37-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C7H16N2/c1-9-4-2-3-7(5-8)6-9/h7H,2-6,8H2,1H3
InChI KeyKEDTYNCWGSIWBK-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
271.0 Log mg/kg [150:480]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.4
Statistical Significance
0.0506
Supporting Reference Compounds
266
E-value
394.306
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.4
Statistical Significance
0.1362
Supporting Reference Compounds
562
E-value
1060.07
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.4
Statistical Significance
0.1667
Supporting Reference Compounds
861
E-value
1298.14
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.3
Statistical Significance
0.061
Supporting Reference Compounds
207
E-value
475.27
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.4
Statistical Significance
0.122
Supporting Reference Compounds
385
E-value
949.994
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.4
Statistical Significance
0.1816
Supporting Reference Compounds
507
E-value
1413.82
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.4
Statistical Significance
0.1561
Supporting Reference Compounds
373
E-value
1215.15
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.4
Statistical Significance
0.1224
Supporting Reference Compounds
297
E-value
952.641
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.246
Applicability Domain
0.4
Statistical Significance
0.3335
Supporting Reference Compounds
955
E-value
2596.35
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.24
Applicability Domain
0.4
Statistical Significance
0.224
Supporting Reference Compounds
451
E-value
1743.74
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.4
Statistical Significance
0.1695
Supporting Reference Compounds
340
E-value
1319.39
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.4
Statistical Significance
0.3738
Supporting Reference Compounds
823
E-value
2909.77
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.237
Applicability Domain
0.4
Statistical Significance
0.3579
Supporting Reference Compounds
686
E-value
2786.22
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)
Prediction Confidence Score
0.237
Applicability Domain
0.4
Statistical Significance
0.189
Supporting Reference Compounds
310
E-value
1471.35
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)
Prediction Confidence Score
0.236
Applicability Domain
0.4
Statistical Significance
0.2616
Supporting Reference Compounds
536
E-value
2036.85
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.236
Applicability Domain
0.4
Statistical Significance
0.2593
Supporting Reference Compounds
487
E-value
2018.32
Click to view 3D structureAlpha-1D adrenergic receptorP25100HumansPredicted (SEA)
Prediction Confidence Score
0.236
Applicability Domain
0.4
Statistical Significance
0.1485
Supporting Reference Compounds
258
E-value
1155.98
Click to view 3D structureAlpha-1A adrenergic receptorP43140Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.234
Applicability Domain
0.4
Statistical Significance
0.1369
Supporting Reference Compounds
208
E-value
1065.91
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)
Prediction Confidence Score
0.234
Applicability Domain
0.239 Low confidence
Statistical Significance
0.2635
Supporting Reference Compounds
528
E-value
2051.48
Alpha-1,2-mannosidase (BT_3990) structureClick to view 3D structureAlpha-1,2-mannosidase (BT_3990)Q8A0N1Bacteroides thetaiotaomicronPredicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.229 Low confidence
Statistical Significance
1.50e-04
Supporting Reference Compounds
1
E-value
1.16774
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.227
Applicability Domain
0.239 Low confidence
Statistical Significance
0.5395
Supporting Reference Compounds
1103
E-value
4200.04
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.224
Applicability Domain
0.239 Low confidence
Statistical Significance
0.3873
Supporting Reference Compounds
541
E-value
3014.87
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.262 Low confidence
Statistical Significance
0.1563
Supporting Reference Compounds
203
E-value
1216.78
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.239 Low confidence
Statistical Significance
0.432
Supporting Reference Compounds
524
E-value
3362.85
Click to view 3D structureAlpha-1B adrenergic receptorP15823Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.4
Statistical Significance
0.1276
Supporting Reference Compounds
130
E-value
993.045
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available