1-[(3-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine

C20H22ClF2N — CID 134153224

IUPAC1-[(3-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine
SMILESFC1(F)CCN(Cc2cccc(Cl)c2)CC1CCc1ccccc1
InChIInChI=1S/C20H22ClF2N/c21-19-8-4-7-17(13-19)14-24-12-11-20(22,23)18(15-24)10-9-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2
InChIKeyNCHFNXBFGDIPEO-UHFFFAOYSA-N
MW349.85 g/mol
LogP5.43
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine

1-[(3-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine (PubChem CID 134153224) has the molecular formula C20H22ClF2N and a molecular weight of 349.85 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine
PubChem CID134153224
Molecular FormulaC20H22ClF2N
Molecular Weight349.85 g/mol
Exact Mass349.14
IUPAC Name1-[(3-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine
SMILESFC1(F)CCN(Cc2cccc(Cl)c2)CC1CCc1ccccc1
InChIInChI=1S/C20H22ClF2N/c21-19-8-4-7-17(13-19)14-24-12-11-20(22,23)18(15-24)10-9-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2
InChIKeyNCHFNXBFGDIPEO-UHFFFAOYSA-N
XLogP5.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.85
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(3-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine 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-[(3-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine (CID 134153224) is 1-[(3-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine is FC1(F)CCN(Cc2cccc(Cl)c2)CC1CCc1ccccc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine?
The InChIKey is NCHFNXBFGDIPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF2N/c21-19-8-4-7-17(13-19)14-24-12-11-20(22,23)18(15-24)10-9-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine?
1-[(3-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine has a molecular weight of 349.85 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine is sourced from PubChem (CID 134153224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).