(4-chlorophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

C13H13ClF3NO — CID 2746060

IUPAC(4-chlorophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H13ClF3NO/c14-11-3-1-9(2-4-11)12(19)18-7-5-10(6-8-18)13(15,16)17/h1-4,10H,5-8H2
InChIKeyZZGJRLAHDBJANK-UHFFFAOYSA-N
MW291.70 g/mol
LogP3.75
Rot. Bonds1

About (4-chlorophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

(4-chlorophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 2746060) has the molecular formula C13H13ClF3NO and a molecular weight of 291.70 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID2746060
Molecular FormulaC13H13ClF3NO
Molecular Weight291.70 g/mol
Exact Mass291.06
IUPAC Name(4-chlorophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H13ClF3NO/c14-11-3-1-9(2-4-11)12(19)18-7-5-10(6-8-18)13(15,16)17/h1-4,10H,5-8H2
InChIKeyZZGJRLAHDBJANK-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4-chlorophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 2746060) is (4-chlorophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is ZZGJRLAHDBJANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3NO/c14-11-3-1-9(2-4-11)12(19)18-7-5-10(6-8-18)13(15,16)17/h1-4,10H,5-8H2.
What are the key properties of (4-chlorophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 291.70 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 2746060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).