2-(2-chlorophenyl)-2-fluoro-1-phenylpiperidine

C17H17ClFN — CID 174461699

IUPAC2-(2-chlorophenyl)-2-fluoro-1-phenylpiperidine
SMILESFC1(c2ccccc2Cl)CCCCN1c1ccccc1
InChIInChI=1S/C17H17ClFN/c18-16-11-5-4-10-15(16)17(19)12-6-7-13-20(17)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2
InChIKeyPQIOGBOCJJVEDZ-UHFFFAOYSA-N
MW289.78 g/mol
LogP5.15
Rot. Bonds2

About 2-(2-chlorophenyl)-2-fluoro-1-phenylpiperidine

2-(2-chlorophenyl)-2-fluoro-1-phenylpiperidine (PubChem CID 174461699) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-fluoro-1-phenylpiperidine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-fluoro-1-phenylpiperidine
PubChem CID174461699
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC Name2-(2-chlorophenyl)-2-fluoro-1-phenylpiperidine
SMILESFC1(c2ccccc2Cl)CCCCN1c1ccccc1
InChIInChI=1S/C17H17ClFN/c18-16-11-5-4-10-15(16)17(19)12-6-7-13-20(17)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2
InChIKeyPQIOGBOCJJVEDZ-UHFFFAOYSA-N
XLogP5.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.78
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-fluoro-1-phenylpiperidine?
The IUPAC name of 2-(2-chlorophenyl)-2-fluoro-1-phenylpiperidine (CID 174461699) is 2-(2-chlorophenyl)-2-fluoro-1-phenylpiperidine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-fluoro-1-phenylpiperidine?
The canonical SMILES for 2-(2-chlorophenyl)-2-fluoro-1-phenylpiperidine is FC1(c2ccccc2Cl)CCCCN1c1ccccc1.
What is the InChIKey of 2-(2-chlorophenyl)-2-fluoro-1-phenylpiperidine?
The InChIKey is PQIOGBOCJJVEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c18-16-11-5-4-10-15(16)17(19)12-6-7-13-20(17)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2.
What are the key properties of 2-(2-chlorophenyl)-2-fluoro-1-phenylpiperidine?
2-(2-chlorophenyl)-2-fluoro-1-phenylpiperidine has a molecular weight of 289.78 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-fluoro-1-phenylpiperidine is sourced from PubChem (CID 174461699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).