Chemical Components in the PDB

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6WG : Summary

Code

6WG

One-letter code

X

Molecule name

(2~{R})-2-phenylpiperidine-1-carbaldehyde

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.5 (2~{R})-2-phenylpiperidine-1-carbaldehyde

Formula

C12 H15 N O

Formal charge

0

Molecular weight

189.254 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O=CN1CCCC[CH]1c2ccccc2
SMILES OpenEye OEToolkits 2.0.5 c1ccc(cc1)C2CCCCN2C=O
Canonical SMILES CACTVS 3.385 O=CN1CCCC[C@@H]1c2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.5 c1ccc(cc1)[C@H]2CCCCN2C=O

IUPAC InChI

InChI=1S/C12H15NO/c14-10-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2/t12-/m1/s1

IUPAC InChI key

MUZIXORETQNNBG-GFCCVEGCSA-N
6WG

wwPDB Information

Atom count

29 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-07-11

Last modified at

2016-07-15

Status

Released

Obsoleted

Not Assigned