A1IB1

4-(phenylmethyl)piperidine

Created:	2024-05-20
Last modified:	2024-07-03

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1 entries where A1IB1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	6

2D diagram of A1IB1

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Chemical Component Summary
Name	4-(phenylmethyl)piperidine
Systematic Name (OpenEye OEToolkits)	4-(phenylmethyl)piperidine
Formula	C₁₂ H₁₇ N
Molecular Weight	175.27
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C1CC(CCN1)Cc2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CC2CCNCC2
Canonical SMILES	CACTVS	3.385	C1CC(CCN1)Cc2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CC2CCNCC2
InChI	InChI	1.06	InChI=1S/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2
InChIKey	InChI	1.06	ABGXADJDTPFFSZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	31738
ChEMBL	CHEMBL144129

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.