3-(3-bromophenyl)-4-(3,4-dichlorophenyl)piperidine

C17H16BrCl2N — CID 79430909

IUPAC3-(3-bromophenyl)-4-(3,4-dichlorophenyl)piperidine
SMILESClc1ccc(C2CCNCC2c2cccc(Br)c2)cc1Cl
InChIInChI=1S/C17H16BrCl2N/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
InChIKeySQOKFGKDGXDFAC-UHFFFAOYSA-N
MW385.13 g/mol
LogP5.62
Rot. Bonds2

About 3-(3-bromophenyl)-4-(3,4-dichlorophenyl)piperidine

3-(3-bromophenyl)-4-(3,4-dichlorophenyl)piperidine (PubChem CID 79430909) has the molecular formula C17H16BrCl2N and a molecular weight of 385.13 g/mol. Its IUPAC name is 3-(3-bromophenyl)-4-(3,4-dichlorophenyl)piperidine.

Molecular Properties

Compound Name3-(3-bromophenyl)-4-(3,4-dichlorophenyl)piperidine
PubChem CID79430909
Molecular FormulaC17H16BrCl2N
Molecular Weight385.13 g/mol
Exact Mass382.98
IUPAC Name3-(3-bromophenyl)-4-(3,4-dichlorophenyl)piperidine
SMILESClc1ccc(C2CCNCC2c2cccc(Br)c2)cc1Cl
InChIInChI=1S/C17H16BrCl2N/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
InChIKeySQOKFGKDGXDFAC-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.13
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-bromophenyl)-3-(3-methylphenyl)piperidine
CID 79441754
3-(3-bromophenyl)-4-(2-chlorophenyl)piperidine
CID 79430057
3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine
CID 79429992
4-(3-bromophenyl)-3-fluoropiperidine
CID 105426889
3-(3-bromophenyl)-4-cyclopropylpiperidine
CID 79432038
3-(3-bromophenyl)-4-(1-ethylpyrazol-4-yl)piperidine
CID 103570978
4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine
CID 79440006
3-(3-bromophenyl)-4-(2,5-dimethylphenyl)piperidine
CID 79430904
4-(3-chloro-4-methylphenyl)-3-phenylpiperidine
CID 106819222
3-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)piperidine
CID 79433028
3-(3-bromophenyl)-4-(2-ethylphenyl)piperidine
CID 79431218
3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine
CID 79433508

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-4-(3,4-dichlorophenyl)piperidine?
The IUPAC name of 3-(3-bromophenyl)-4-(3,4-dichlorophenyl)piperidine (CID 79430909) is 3-(3-bromophenyl)-4-(3,4-dichlorophenyl)piperidine.
What is the SMILES notation for 3-(3-bromophenyl)-4-(3,4-dichlorophenyl)piperidine?
The canonical SMILES for 3-(3-bromophenyl)-4-(3,4-dichlorophenyl)piperidine is Clc1ccc(C2CCNCC2c2cccc(Br)c2)cc1Cl.
What is the InChIKey of 3-(3-bromophenyl)-4-(3,4-dichlorophenyl)piperidine?
The InChIKey is SQOKFGKDGXDFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrCl2N/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-bromophenyl)-4-(3,4-dichlorophenyl)piperidine?
3-(3-bromophenyl)-4-(3,4-dichlorophenyl)piperidine has a molecular weight of 385.13 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-4-(3,4-dichlorophenyl)piperidine is sourced from PubChem (CID 79430909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).