2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone

C21H22F3NO — CID 159142820

IUPAC2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
SMILESCc1ccccc1CC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C21H22F3NO/c1-15-6-2-3-7-17(15)14-20(26)25-12-10-16(11-13-25)18-8-4-5-9-19(18)21(22,23)24/h2-9,16H,10-14H2,1H3
InChIKeyWUMPZTRDZUZPAC-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.96
Rot. Bonds3

About 2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone

2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone (PubChem CID 159142820) has the molecular formula C21H22F3NO and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
PubChem CID159142820
Molecular FormulaC21H22F3NO
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
SMILESCc1ccccc1CC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C21H22F3NO/c1-15-6-2-3-7-17(15)14-20(26)25-12-10-16(11-13-25)18-8-4-5-9-19(18)21(22,23)24/h2-9,16H,10-14H2,1H3
InChIKeyWUMPZTRDZUZPAC-UHFFFAOYSA-N
XLogP4.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate
CID 159388662
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113087415
1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride
CID 119164426
4-[2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzoic acid
CID 166275386
(7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157188128
1-(4-methoxyazepan-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 136522526
1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone
CID 158400377
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 72842618
[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea
CID 71985156
3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 134021008
1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 110708909
1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 124612859

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone (CID 159142820) is 2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone is Cc1ccccc1CC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone?
The InChIKey is WUMPZTRDZUZPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO/c1-15-6-2-3-7-17(15)14-20(26)25-12-10-16(11-13-25)18-8-4-5-9-19(18)21(22,23)24/h2-9,16H,10-14H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone?
2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone has a molecular weight of 361.41 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 159142820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).