Chemical Components in the PDB

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1PC : Summary

Code

1PC

One-letter code

X

Molecule name

1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE

Synonyms

PHENCYCLIDINE

Systematic names

ProgramVersionName
ACDLabs 10.04 1-(1-phenylcyclohexyl)piperidine
OpenEye OEToolkits 1.5.0 1-(1-phenylcyclohexyl)piperidine

Formula

C17 H25 N

Formal charge

0

Molecular weight

243.387 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 c1ccccc1C3(N2CCCCC2)CCCCC3
SMILES CACTVS 3.341 C1CCN(CC1)C2(CCCCC2)c3ccccc3
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)C2(CCCCC2)N3CCCCC3
Canonical SMILES CACTVS 3.341 C1CCN(CC1)C2(CCCCC2)c3ccccc3
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)C2(CCCCC2)N3CCCCC3

IUPAC InChI

InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2

IUPAC InChI key

JTJMJGYZQZDUJJ-UHFFFAOYSA-N
1PC

wwPDB Information

Atom count

43 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned