N-[(2,4-difluorophenyl)-piperidin-3-ylmethyl]-2,2,2-trifluoroacetamide;hydrochloride

C14H16ClF5N2O — CID 87327108

IUPACN-[(2,4-difluorophenyl)-piperidin-3-ylmethyl]-2,2,2-trifluoroacetamide;hydrochloride
SMILESCl.O=C(NC(c1ccc(F)cc1F)C1CCCNC1)C(F)(F)F
InChIInChI=1S/C14H15F5N2O.ClH/c15-9-3-4-10(11(16)6-9)12(8-2-1-5-20-7-8)21-13(22)14(17,18)19;/h3-4,6,8,12,20H,1-2,5,7H2,(H,21,22);1H
InChIKeyOYMGRNLLRVKXOB-UHFFFAOYSA-N
MW358.74 g/mol
LogP3.11
Rot. Bonds3

About N-[(2,4-difluorophenyl)-piperidin-3-ylmethyl]-2,2,2-trifluoroacetamide;hydrochloride

N-[(2,4-difluorophenyl)-piperidin-3-ylmethyl]-2,2,2-trifluoroacetamide;hydrochloride (PubChem CID 87327108) has the molecular formula C14H16ClF5N2O and a molecular weight of 358.74 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)-piperidin-3-ylmethyl]-2,2,2-trifluoroacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)-piperidin-3-ylmethyl]-2,2,2-trifluoroacetamide;hydrochloride
PubChem CID87327108
Molecular FormulaC14H16ClF5N2O
Molecular Weight358.74 g/mol
Exact Mass358.09
IUPAC NameN-[(2,4-difluorophenyl)-piperidin-3-ylmethyl]-2,2,2-trifluoroacetamide;hydrochloride
SMILESCl.O=C(NC(c1ccc(F)cc1F)C1CCCNC1)C(F)(F)F
InChIInChI=1S/C14H15F5N2O.ClH/c15-9-3-4-10(11(16)6-9)12(8-2-1-5-20-7-8)21-13(22)14(17,18)19;/h3-4,6,8,12,20H,1-2,5,7H2,(H,21,22);1H
InChIKeyOYMGRNLLRVKXOB-UHFFFAOYSA-N
XLogP3.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.74
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2,4-difluorophenyl)-piperidin-3-ylmethyl]-2,2,2-trifluoroacetamide;hydrochloride 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 N-[(2,4-difluorophenyl)-piperidin-3-ylmethyl]-2,2,2-trifluoroacetamide;hydrochloride?
The IUPAC name of N-[(2,4-difluorophenyl)-piperidin-3-ylmethyl]-2,2,2-trifluoroacetamide;hydrochloride (CID 87327108) is N-[(2,4-difluorophenyl)-piperidin-3-ylmethyl]-2,2,2-trifluoroacetamide;hydrochloride.
What is the SMILES notation for N-[(2,4-difluorophenyl)-piperidin-3-ylmethyl]-2,2,2-trifluoroacetamide;hydrochloride?
The canonical SMILES for N-[(2,4-difluorophenyl)-piperidin-3-ylmethyl]-2,2,2-trifluoroacetamide;hydrochloride is Cl.O=C(NC(c1ccc(F)cc1F)C1CCCNC1)C(F)(F)F.
What is the InChIKey of N-[(2,4-difluorophenyl)-piperidin-3-ylmethyl]-2,2,2-trifluoroacetamide;hydrochloride?
The InChIKey is OYMGRNLLRVKXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F5N2O.ClH/c15-9-3-4-10(11(16)6-9)12(8-2-1-5-20-7-8)21-13(22)14(17,18)19;/h3-4,6,8,12,20H,1-2,5,7H2,(H,21,22);1H.
What are the key properties of N-[(2,4-difluorophenyl)-piperidin-3-ylmethyl]-2,2,2-trifluoroacetamide;hydrochloride?
N-[(2,4-difluorophenyl)-piperidin-3-ylmethyl]-2,2,2-trifluoroacetamide;hydrochloride has a molecular weight of 358.74 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)-piperidin-3-ylmethyl]-2,2,2-trifluoroacetamide;hydrochloride is sourced from PubChem (CID 87327108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).