1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine

C14H18ClF3N2 — CID 83992190

IUPAC1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESFC(F)(F)CNC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClF3N2/c15-12-5-3-11(4-6-12)8-20-7-1-2-13(9-20)19-10-14(16,17)18/h3-6,13,19H,1-2,7-10H2
InChIKeyHDGPMLCKLPZXSC-UHFFFAOYSA-N
MW306.76 g/mol
LogP3.46
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine

1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 83992190) has the molecular formula C14H18ClF3N2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID83992190
Molecular FormulaC14H18ClF3N2
Molecular Weight306.76 g/mol
Exact Mass306.11
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESFC(F)(F)CNC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClF3N2/c15-12-5-3-11(4-6-12)8-20-7-1-2-13(9-20)19-10-14(16,17)18/h3-6,13,19H,1-2,7-10H2
InChIKeyHDGPMLCKLPZXSC-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine 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 1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 83992190) is 1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine is FC(F)(F)CNC1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is HDGPMLCKLPZXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2/c15-12-5-3-11(4-6-12)8-20-7-1-2-13(9-20)19-10-14(16,17)18/h3-6,13,19H,1-2,7-10H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 306.76 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 83992190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).