(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone

C14H16F3NO — CID 78783825

IUPAC(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCC1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16F3NO/c1-10-4-3-7-18(9-10)13(19)11-5-2-6-12(8-11)14(15,16)17/h2,5-6,8,10H,3-4,7,9H2,1H3
InChIKeyLEFCYVDJBORUII-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.58
Rot. Bonds1

About (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone

(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 78783825) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID78783825
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCC1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16F3NO/c1-10-4-3-7-18(9-10)13(19)11-5-2-6-12(8-11)14(15,16)17/h2,5-6,8,10H,3-4,7,9H2,1H3
InChIKeyLEFCYVDJBORUII-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 43080840
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
5-(3-methylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 91955187
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
(3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109240749
(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119483027
(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94082199
[(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 125165088
[3-(4-fluorophenyl)azepan-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121130934
(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 21025548
(2-methylsulfanylphenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
CID 45200802
[3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 78783741

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 78783825) is (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone is CC1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is LEFCYVDJBORUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-10-4-3-7-18(9-10)13(19)11-5-2-6-12(8-11)14(15,16)17/h2,5-6,8,10H,3-4,7,9H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone?
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 271.28 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 78783825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).