Chemical Components in the PDB

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ZVE : Summary

Code

ZVE

One-letter code

X

Molecule name

(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

Systematic names

ProgramVersionName
ACDLabs 12.01 (3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
OpenEye OEToolkits 2.0.7 (3~{R})-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine

Formula

C10 H14 F3 N3

Formal charge

0

Molecular weight

233.233 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Cn1cc(nc1C1CNCCC1)C(F)(F)F
SMILES CACTVS 3.385 Cn1cc(nc1[CH]2CCCNC2)C(F)(F)F
SMILES OpenEye OEToolkits 2.0.7 Cn1cc(nc1C2CCCNC2)C(F)(F)F
Canonical SMILES CACTVS 3.385 Cn1cc(nc1[C@@H]2CCCNC2)C(F)(F)F
Canonical SMILES OpenEye OEToolkits 2.0.7 Cn1cc(nc1[C@@H]2CCCNC2)C(F)(F)F

IUPAC InChI

InChI=1S/C10H14F3N3/c1-16-6-8(10(11,12)13)15-9(16)7-3-2-4-14-5-7/h6-7,14H,2-5H2,1H3/t7-/m1/s1

IUPAC InChI key

ZPUMPEAGLZCEBQ-SSDOTTSWSA-N
ZVE

wwPDB Information

Atom count

30 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-07-05

Last modified at

2023-07-21

Status

Released

Obsoleted

Not Assigned