4-(4-bromo-2-fluorophenyl)-3-(3-chlorophenyl)piperidine

C17H16BrClFN — CID 79431746

IUPAC4-(4-bromo-2-fluorophenyl)-3-(3-chlorophenyl)piperidine
SMILESFc1cc(Br)ccc1C1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C17H16BrClFN/c18-12-4-5-15(17(20)9-12)14-6-7-21-10-16(14)11-2-1-3-13(19)8-11/h1-5,8-9,14,16,21H,6-7,10H2
InChIKeyZWZPTWQFXSNOQD-UHFFFAOYSA-N
MW368.68 g/mol
LogP5.10
Rot. Bonds2

About 4-(4-bromo-2-fluorophenyl)-3-(3-chlorophenyl)piperidine

4-(4-bromo-2-fluorophenyl)-3-(3-chlorophenyl)piperidine (PubChem CID 79431746) has the molecular formula C17H16BrClFN and a molecular weight of 368.68 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenyl)-3-(3-chlorophenyl)piperidine.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenyl)-3-(3-chlorophenyl)piperidine
PubChem CID79431746
Molecular FormulaC17H16BrClFN
Molecular Weight368.68 g/mol
Exact Mass367.01
IUPAC Name4-(4-bromo-2-fluorophenyl)-3-(3-chlorophenyl)piperidine
SMILESFc1cc(Br)ccc1C1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C17H16BrClFN/c18-12-4-5-15(17(20)9-12)14-6-7-21-10-16(14)11-2-1-3-13(19)8-11/h1-5,8-9,14,16,21H,6-7,10H2
InChIKeyZWZPTWQFXSNOQD-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)cyclobutyl]piperidin-4-amine
CID 166627229
N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-phenylcyclobutyl)piperidin-4-amine
CID 166627320
N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylbutyl)piperidin-4-amine
CID 166629299
N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-bromophenyl)cyclobutyl]piperidin-4-amine
CID 166630648
N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(3-chlorophenyl)cyclobutyl]piperidin-4-amine
CID 166634050
N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 166635652
(3S,4R)-3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]-4-(4-fluorophenyl)piperidine
CID 44447596
N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-methyl-2-phenylpropyl)piperidin-4-amine
CID 166630763
N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylcyclobutyl)piperidin-4-amine
CID 166631576
N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(3-fluorophenyl)cyclobutyl]piperidin-4-amine
CID 166632942
N-[(4-bromo-3-chlorophenyl)methyl]-N-(3-methyl-2-phenylbutyl)piperidin-4-amine
CID 166636598
4-[(4-Bromophenyl)-(4-fluorophenyl)methylidene]piperidine
CID 23326068

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenyl)-3-(3-chlorophenyl)piperidine?
The IUPAC name of 4-(4-bromo-2-fluorophenyl)-3-(3-chlorophenyl)piperidine (CID 79431746) is 4-(4-bromo-2-fluorophenyl)-3-(3-chlorophenyl)piperidine.
What is the SMILES notation for 4-(4-bromo-2-fluorophenyl)-3-(3-chlorophenyl)piperidine?
The canonical SMILES for 4-(4-bromo-2-fluorophenyl)-3-(3-chlorophenyl)piperidine is Fc1cc(Br)ccc1C1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 4-(4-bromo-2-fluorophenyl)-3-(3-chlorophenyl)piperidine?
The InChIKey is ZWZPTWQFXSNOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClFN/c18-12-4-5-15(17(20)9-12)14-6-7-21-10-16(14)11-2-1-3-13(19)8-11/h1-5,8-9,14,16,21H,6-7,10H2.
What are the key properties of 4-(4-bromo-2-fluorophenyl)-3-(3-chlorophenyl)piperidine?
4-(4-bromo-2-fluorophenyl)-3-(3-chlorophenyl)piperidine has a molecular weight of 368.68 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenyl)-3-(3-chlorophenyl)piperidine is sourced from PubChem (CID 79431746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).