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

C20H22ClF2N — CID 134155840

IUPAC1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine
SMILESFC1(F)CCN(Cc2ccc(Cl)cc2)CC1CCc1ccccc1
InChIInChI=1S/C20H22ClF2N/c21-19-10-7-17(8-11-19)14-24-13-12-20(22,23)18(15-24)9-6-16-4-2-1-3-5-16/h1-5,7-8,10-11,18H,6,9,12-15H2
InChIKeyTZCSJNWLXXTEAC-UHFFFAOYSA-N
MW349.85 g/mol
LogP5.43
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine (PubChem CID 134155840) has the molecular formula C20H22ClF2N and a molecular weight of 349.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine
PubChem CID134155840
Molecular FormulaC20H22ClF2N
Molecular Weight349.85 g/mol
Exact Mass349.14
IUPAC Name1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine
SMILESFC1(F)CCN(Cc2ccc(Cl)cc2)CC1CCc1ccccc1
InChIInChI=1S/C20H22ClF2N/c21-19-10-7-17(8-11-19)14-24-13-12-20(22,23)18(15-24)9-6-16-4-2-1-3-5-16/h1-5,7-8,10-11,18H,6,9,12-15H2
InChIKeyTZCSJNWLXXTEAC-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine (CID 134155840) is 1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine is FC1(F)CCN(Cc2ccc(Cl)cc2)CC1CCc1ccccc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine?
The InChIKey is TZCSJNWLXXTEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF2N/c21-19-10-7-17(8-11-19)14-24-13-12-20(22,23)18(15-24)9-6-16-4-2-1-3-5-16/h1-5,7-8,10-11,18H,6,9,12-15H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine?
1-[(4-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-[(4-chlorophenyl)methyl]-4,4-difluoro-3-(2-phenylethyl)piperidine is sourced from PubChem (CID 134155840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).