ISDA: 9M8Z

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1EM6

IUPAC Name: 4-phenylpiperidin-4-ol

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc(C2CCNCC2)cc1

InChI: InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2

InChI Key: UTBULQCHEUWJNV-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C11 H15 N O

Molecular weight: 177.243

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 2

Rotatable Bonds: 2

Heavy Atoms: 13

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	4-phenylpiperidin-4-ol

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C11H15NO/c13-11(6-8-12-9-7-11)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
InChIKey	InChI	1.06	KQKFQBTWXOGINC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OC1(CCNCC1)c2ccccc2
SMILES	CACTVS	3.385	OC1(CCNCC1)c2ccccc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C2(CCNCC2)O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C2(CCNCC2)O

Chemical Database Mapping