IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Piperidine
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY007188
Phytochemical name:
Piperidine
Synonymous chemical names:
hexahydropyridine, piperidine
External chemical identifiers:
CID:8082
,
ChEMBL:CHEMBL15487
,
ChEBI:18049
,
ZINC:ZINC000001529277
,
FDASRS:67I85E138Y
,
SureChEMBL:SCHEMBL427
,
MolPort-000-871-527
Chemical structure information
SMILES:
C1CCCNC1
InChI:
InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2
InChIKey:
NQRYJNQNLNOLGT-UHFFFAOYSA-N
DeepSMILES:
CCCCNC6
Functional groups:
CNC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CCNCC1
Scaffold Graph/Node level:
C1CCNCC1
Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organoheterocyclic compounds
ClassyFire Class:
Piperidines
NP Classifier Biosynthetic pathway:
Alkaloids
NP Classifier Superclass:
Lysine alkaloids
NP Classifier Class:
Piperidine alkaloids
NP-Likeness score:
0.104
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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