3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)piperidine

C17H16BrClFN — CID 79433642

IUPAC3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)piperidine
SMILESFc1cccc(Cl)c1C1CCNCC1c1ccc(Br)cc1
InChIInChI=1S/C17H16BrClFN/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
InChIKeyKIOFCOKNXYCVSG-UHFFFAOYSA-N
MW368.68 g/mol
LogP5.10
Rot. Bonds2

About 3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)piperidine

3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)piperidine (PubChem CID 79433642) has the molecular formula C17H16BrClFN and a molecular weight of 368.68 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)piperidine.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)piperidine
PubChem CID79433642
Molecular FormulaC17H16BrClFN
Molecular Weight368.68 g/mol
Exact Mass367.01
IUPAC Name3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)piperidine
SMILESFc1cccc(Cl)c1C1CCNCC1c1ccc(Br)cc1
InChIInChI=1S/C17H16BrClFN/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
InChIKeyKIOFCOKNXYCVSG-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
(3S,4R)-3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]-4-(4-fluorophenyl)piperidine
CID 44447596
N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(3-fluorophenyl)cyclobutyl]piperidin-4-amine
CID 166632942
(3R,4R)-3-[2-(5-bromo-2-chlorophenyl)ethyl]-4-fluoropiperidine;hydrochloride
CID 9950618
(3S,4S)-3-[3-(5-bromo-2-chlorophenyl)propyl]-4-fluoropiperidine;hydrochloride
CID 45260339
(3S,4S)-3-[(5-bromo-2-chlorophenyl)methyl]-4-fluoropiperidine;hydrochloride
CID 45260390
3-[2-(5-Bromo-2-chlorophenyl)ethyl]piperidine;hydrochloride
CID 45264334
4-[(4-Bromophenyl)-(4-fluorophenyl)methylidene]piperidine
CID 23326068
4-(4-Bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidin-1-ium
CID 58302949
4-(4-Bromo-phenyl)-4-(4-chloro-3-fluoro-phenyl)-piperidine
CID 58302950
3-[2-(5-Bromo-2-chlorophenyl)ethyl]-4-fluoropiperidine
CID 69592736
4-(4-Bromophenyl)-1-chloro-4-(4-chloro-3-fluorophenyl)piperidine
CID 89349086

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)piperidine?
The IUPAC name of 3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)piperidine (CID 79433642) is 3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)piperidine.
What is the SMILES notation for 3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)piperidine?
The canonical SMILES for 3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)piperidine is Fc1cccc(Cl)c1C1CCNCC1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)piperidine?
The InChIKey is KIOFCOKNXYCVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClFN/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-bromophenyl)-4-(2-chloro-6-fluorophenyl)piperidine?
3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)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 3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)piperidine is sourced from PubChem (CID 79433642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).