(2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone

C14H16F3NO2 — CID 116614015

IUPAC(2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone
SMILESCC1(C(=O)c2ccccc2OC(F)(F)F)CCCCN1
InChIInChI=1S/C14H16F3NO2/c1-13(8-4-5-9-18-13)12(19)10-6-2-3-7-11(10)20-14(15,16)17/h2-3,6-7,18H,4-5,8-9H2,1H3
InChIKeyBCDHUFAELCLMLJ-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.30
Rot. Bonds3

About (2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone

(2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 116614015) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is (2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID116614015
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name(2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone
SMILESCC1(C(=O)c2ccccc2OC(F)(F)F)CCCCN1
InChIInChI=1S/C14H16F3NO2/c1-13(8-4-5-9-18-13)12(19)10-6-2-3-7-11(10)20-14(15,16)17/h2-3,6-7,18H,4-5,8-9H2,1H3
InChIKeyBCDHUFAELCLMLJ-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone 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

(2-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613964
2-ethyl-2-[2-(trifluoromethoxy)phenyl]azepane
CID 79119088
(5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116614148
[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
CID 107291162
1-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 16768650
(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580446
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpiperidine-2-carboxamide
CID 104597078
[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
CID 107291161
(3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613962
2-(trifluoromethoxy)benzoate
CID 6933714
(2-methylpiperidin-2-yl)-thiophen-2-ylmethanone
CID 116614225
(2-methylpyrrolidin-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 116580532

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone (CID 116614015) is (2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone is CC1(C(=O)c2ccccc2OC(F)(F)F)CCCCN1.
What is the InChIKey of (2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is BCDHUFAELCLMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-13(8-4-5-9-18-13)12(19)10-6-2-3-7-11(10)20-14(15,16)17/h2-3,6-7,18H,4-5,8-9H2,1H3.
What are the key properties of (2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone?
(2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 287.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 116614015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).