3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine

C17H16ClF2N — CID 79433603

IUPAC3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine
SMILESFc1cccc(F)c1C1CCNCC1c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClF2N/c18-12-6-4-11(5-7-12)14-10-21-9-8-13(14)17-15(19)2-1-3-16(17)20/h1-7,13-14,21H,8-10H2
InChIKeyQJCULNICXGRYQX-UHFFFAOYSA-N
MW307.77 g/mol
LogP4.48
Rot. Bonds2

About 3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine

3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine (PubChem CID 79433603) has the molecular formula C17H16ClF2N and a molecular weight of 307.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine
PubChem CID79433603
Molecular FormulaC17H16ClF2N
Molecular Weight307.77 g/mol
Exact Mass307.09
IUPAC Name3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine
SMILESFc1cccc(F)c1C1CCNCC1c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClF2N/c18-12-6-4-11(5-7-12)14-10-21-9-8-13(14)17-15(19)2-1-3-16(17)20/h1-7,13-14,21H,8-10H2
InChIKeyQJCULNICXGRYQX-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine?
The IUPAC name of 3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine (CID 79433603) is 3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine?
The canonical SMILES for 3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine is Fc1cccc(F)c1C1CCNCC1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine?
The InChIKey is QJCULNICXGRYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N/c18-12-6-4-11(5-7-12)14-10-21-9-8-13(14)17-15(19)2-1-3-16(17)20/h1-7,13-14,21H,8-10H2.
What are the key properties of 3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine?
3-(4-chlorophenyl)-4-(2,6-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-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine is sourced from PubChem (CID 79433603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).