(3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine

C17H20F3N3 — CID 96575360

IUPAC(3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCn1ccnc1[C@H]1CCCN(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H20F3N3/c1-22-10-8-21-16(22)14-6-4-9-23(12-14)11-13-5-2-3-7-15(13)17(18,19)20/h2-3,5,7-8,10,14H,4,6,9,11-12H2,1H3/t14-/m0/s1
InChIKeyUYNNBVOHUZHBAS-AWEZNQCLSA-N
MW323.36 g/mol
LogP3.82
Rot. Bonds3

About (3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine

(3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 96575360) has the molecular formula C17H20F3N3 and a molecular weight of 323.36 g/mol. Its IUPAC name is (3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID96575360
Molecular FormulaC17H20F3N3
Molecular Weight323.36 g/mol
Exact Mass323.16
IUPAC Name(3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCn1ccnc1[C@H]1CCCN(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H20F3N3/c1-22-10-8-21-16(22)14-6-4-9-23(12-14)11-13-5-2-3-7-15(13)17(18,19)20/h2-3,5,7-8,10,14H,4,6,9,11-12H2,1H3/t14-/m0/s1
InChIKeyUYNNBVOHUZHBAS-AWEZNQCLSA-N
XLogP3.82
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96573404
(3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96575384
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119909959
1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
CID 91828668
N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998410
5-methyl-7-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 118471548
1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carbaldehyde
CID 62654938
3-(1-methylimidazol-2-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 70754233
(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
CID 96578497
2-methyl-4-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782802
N,N-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 90269557
2-methyl-4-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 70716382

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of (3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine (CID 96575360) is (3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for (3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for (3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine is Cn1ccnc1[C@H]1CCCN(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of (3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is UYNNBVOHUZHBAS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20F3N3/c1-22-10-8-21-16(22)14-6-4-9-23(12-14)11-13-5-2-3-7-15(13)17(18,19)20/h2-3,5,7-8,10,14H,4,6,9,11-12H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine?
(3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 323.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 96575360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).