3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine

C17H16ClF2N — CID 79433508

IUPAC3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine
SMILESFc1ccc(C2CCNCC2c2cccc(Cl)c2)cc1F
InChIInChI=1S/C17H16ClF2N/c18-13-3-1-2-11(8-13)15-10-21-7-6-14(15)12-4-5-16(19)17(20)9-12/h1-5,8-9,14-15,21H,6-7,10H2
InChIKeyCNCPXLCJNCOXIF-UHFFFAOYSA-N
MW307.77 g/mol
LogP4.48
Rot. Bonds2

About 3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine

3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine (PubChem CID 79433508) has the molecular formula C17H16ClF2N and a molecular weight of 307.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine
PubChem CID79433508
Molecular FormulaC17H16ClF2N
Molecular Weight307.77 g/mol
Exact Mass307.09
IUPAC Name3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine
SMILESFc1ccc(C2CCNCC2c2cccc(Cl)c2)cc1F
InChIInChI=1S/C17H16ClF2N/c18-13-3-1-2-11(8-13)15-10-21-7-6-14(15)12-4-5-16(19)17(20)9-12/h1-5,8-9,14-15,21H,6-7,10H2
InChIKeyCNCPXLCJNCOXIF-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine
CID 79434014
4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine
CID 79433397
4-(5-chloro-2-fluorophenyl)-3-(3-fluorophenyl)piperidine
CID 114867327
3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine
CID 79430329
3,4-bis(4-chlorophenyl)piperidine
CID 79434307
3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine
CID 79455204
3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine
CID 79433603
4-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)piperidine
CID 114867305
3-(3-chlorophenyl)-4-cyclopentylpiperidine
CID 79431788
4-(3-chloro-4-methylphenyl)-3-phenylpiperidine
CID 106819222
3-(3-chlorophenyl)-4-pentan-3-ylpiperidine
CID 79433289
3-(3-bromophenyl)-4-(3,4-dichlorophenyl)piperidine
CID 79430909

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine?
The IUPAC name of 3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine (CID 79433508) is 3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine.
What is the SMILES notation for 3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine?
The canonical SMILES for 3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine is Fc1ccc(C2CCNCC2c2cccc(Cl)c2)cc1F.
What is the InChIKey of 3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine?
The InChIKey is CNCPXLCJNCOXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N/c18-13-3-1-2-11(8-13)15-10-21-7-6-14(15)12-4-5-16(19)17(20)9-12/h1-5,8-9,14-15,21H,6-7,10H2.
What are the key properties of 3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine?
3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine has a molecular weight of 307.77 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine is sourced from PubChem (CID 79433508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).