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

C17H16BrClFN — CID 79438820

IUPAC3-(2-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidine
SMILESFc1cc(C2CCNCC2c2ccccc2Br)ccc1Cl
InChIInChI=1S/C17H16BrClFN/c18-15-4-2-1-3-13(15)14-10-21-8-7-12(14)11-5-6-16(19)17(20)9-11/h1-6,9,12,14,21H,7-8,10H2
InChIKeyNYBGTCWMVXJRLP-UHFFFAOYSA-N
MW368.68 g/mol
LogP5.10
Rot. Bonds2

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

3-(2-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidine (PubChem CID 79438820) has the molecular formula C17H16BrClFN and a molecular weight of 368.68 g/mol. Its IUPAC name is 3-(2-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidine.

Molecular Properties

Compound Name3-(2-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidine
PubChem CID79438820
Molecular FormulaC17H16BrClFN
Molecular Weight368.68 g/mol
Exact Mass367.01
IUPAC Name3-(2-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidine
SMILESFc1cc(C2CCNCC2c2ccccc2Br)ccc1Cl
InChIInChI=1S/C17H16BrClFN/c18-15-4-2-1-3-13(15)14-10-21-8-7-12(14)11-5-6-16(19)17(20)9-11/h1-6,9,12,14,21H,7-8,10H2
InChIKeyNYBGTCWMVXJRLP-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

(RR/SS)-2-[1-(4-chlorophenyl)-2-phenylethyl]piperidine
CID 16102759
(RR/SS)-2-[1-(4-chlorophenyl)-3-phenylpropyl]piperidine
CID 16102760
(RR/SS)-2-[1-(4-chlorophenyl)-4-phenylbutyl]piperidine
CID 16102761
(3S,4R)-3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]-4-(4-fluorophenyl)piperidine
CID 44447596
4-Bromo-4-(4-chlorophenyl)piperidin-1-ium bromide
CID 3019917
3-(3-Bromo-5-fluorophenyl)-4-(4-chlorophenyl)butan-2-amine
CID 22270718
4-Bromo-4-(4-chlorophenyl)piperidinium bromide
CID 44145985
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
4-[[2-(4-Chlorophenyl)phenyl]methyl]-4-fluoropiperidine
CID 67126512
4-(4-Bromophenyl)-1-chloro-4-(4-chloro-3-fluorophenyl)piperidine
CID 89349086
5-(2-Bromo-4-chloro-6-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 89815265

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidine?
The IUPAC name of 3-(2-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidine (CID 79438820) is 3-(2-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidine.
What is the SMILES notation for 3-(2-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidine?
The canonical SMILES for 3-(2-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidine is Fc1cc(C2CCNCC2c2ccccc2Br)ccc1Cl.
What is the InChIKey of 3-(2-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidine?
The InChIKey is NYBGTCWMVXJRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClFN/c18-15-4-2-1-3-13(15)14-10-21-8-7-12(14)11-5-6-16(19)17(20)9-11/h1-6,9,12,14,21H,7-8,10H2.
What are the key properties of 3-(2-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidine?
3-(2-bromophenyl)-4-(4-chloro-3-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-(2-bromophenyl)-4-(4-chloro-3-fluorophenyl)piperidine is sourced from PubChem (CID 79438820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).