(3-chloro-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone

C14H21ClF3NO — CID 102961435

IUPAC(3-chloro-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1CCN(C(=O)C2CCCCC2C(F)(F)F)CC1Cl
InChIInChI=1S/C14H21ClF3NO/c1-9-6-7-19(8-12(9)15)13(20)10-4-2-3-5-11(10)14(16,17)18/h9-12H,2-8H2,1H3
InChIKeyZQJKOKUJLIBGFB-UHFFFAOYSA-N
MW311.78 g/mol
LogP3.83
Rot. Bonds1

About (3-chloro-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone

(3-chloro-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 102961435) has the molecular formula C14H21ClF3NO and a molecular weight of 311.78 g/mol. Its IUPAC name is (3-chloro-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(3-chloro-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID102961435
Molecular FormulaC14H21ClF3NO
Molecular Weight311.78 g/mol
Exact Mass311.13
IUPAC Name(3-chloro-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1CCN(C(=O)C2CCCCC2C(F)(F)F)CC1Cl
InChIInChI=1S/C14H21ClF3NO/c1-9-6-7-19(8-12(9)15)13(20)10-4-2-3-5-11(10)14(16,17)18/h9-12H,2-8H2,1H3
InChIKeyZQJKOKUJLIBGFB-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (3-chloro-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]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-(1,1-Difluoroethyl)-4-fluorocyclohexyl]-piperidin-1-ylmethanone
CID 123326774
[4-(2-Chloroethyl)piperazin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932521
[2-(2-Chloroethyl)piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 81932542
[2-(2-Chloroethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932543
[3-(2-Chloroethyl)piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 81932546
[3-(2-Chloroethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932573
N-butyl-N-(2-chloroethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81933530
N-(2-chloroethyl)-4,4-difluoro-N-propylcyclohexane-1-carboxamide
CID 81933531
N-(2-chloroethyl)-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81933532
[4-(Chloromethyl)piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 81933533
N-butyl-N-(2-chloroethyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81933547
N-(2-chloroethyl)-N-propyl-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81933548

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (3-chloro-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone (CID 102961435) is (3-chloro-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (3-chloro-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (3-chloro-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone is CC1CCN(C(=O)C2CCCCC2C(F)(F)F)CC1Cl.
What is the InChIKey of (3-chloro-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is ZQJKOKUJLIBGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClF3NO/c1-9-6-7-19(8-12(9)15)13(20)10-4-2-3-5-11(10)14(16,17)18/h9-12H,2-8H2,1H3.
What are the key properties of (3-chloro-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone?
(3-chloro-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 311.78 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 102961435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).