Chemical Components in the PDB

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SVF : Summary

Code

SVF

One-letter code

X

Molecule name

1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone

Formula

C14 H18 F N O

Formal charge

0

Molecular weight

235.297 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(=O)N1CCC(CC1)Cc2ccc(F)cc2
SMILES OpenEye OEToolkits 2.0.6 CC(=O)N1CCC(CC1)Cc2ccc(cc2)F
Canonical SMILES CACTVS 3.385 CC(=O)N1CCC(CC1)Cc2ccc(F)cc2
Canonical SMILES OpenEye OEToolkits 2.0.6 CC(=O)N1CCC(CC1)Cc2ccc(cc2)F

IUPAC InChI

InChI=1S/C14H18FNO/c1-11(17)16-8-6-13(7-9-16)10-12-2-4-14(15)5-3-12/h2-5,13H,6-10H2,1H3

IUPAC InChI key

OOMYIKQRRZLESA-UHFFFAOYSA-N
SVF

wwPDB Information

Atom count

35 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-06-21

Last modified at

2018-04-20

Status

Released

Obsoleted

Not Assigned