Chemical Components in the PDB

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PIP : Summary

Code

PIP

One-letter code

X

Molecule name

PIPERIDINE

Systematic names

ProgramVersionName
ACDLabs 10.04 piperidine
OpenEye OEToolkits 1.5.0 piperidine

Formula

C5 H11 N

Formal charge

0

Molecular weight

85.148 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 N1CCCCC1
SMILES CACTVS 3.341 C1CCNCC1
SMILES OpenEye OEToolkits 1.5.0 C1CCNCC1
Canonical SMILES CACTVS 3.341 C1CCNCC1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CCNCC1

IUPAC InChI

InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2

IUPAC InChI key

NQRYJNQNLNOLGT-UHFFFAOYSA-N

Is part of

MID
PIP

wwPDB Information

Atom count

17 (6 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

2011-06-04

Status

Released

Obsoleted

Not Assigned