2-(5-bromo-4-chloro-2-methylphenyl)piperidine

C12H15BrClN — CID 84814511

IUPAC2-(5-bromo-4-chloro-2-methylphenyl)piperidine
SMILESCc1cc(Cl)c(Br)cc1C1CCCCN1
InChIInChI=1S/C12H15BrClN/c1-8-6-11(14)10(13)7-9(8)12-4-2-3-5-15-12/h6-7,12,15H,2-5H2,1H3
InChIKeyNRXRBMRPWIKPMJ-UHFFFAOYSA-N
MW288.62 g/mol
LogP4.23
Rot. Bonds1

About 2-(5-bromo-4-chloro-2-methylphenyl)piperidine

2-(5-bromo-4-chloro-2-methylphenyl)piperidine (PubChem CID 84814511) has the molecular formula C12H15BrClN and a molecular weight of 288.62 g/mol. Its IUPAC name is 2-(5-bromo-4-chloro-2-methylphenyl)piperidine.

Molecular Properties

Compound Name2-(5-bromo-4-chloro-2-methylphenyl)piperidine
PubChem CID84814511
Molecular FormulaC12H15BrClN
Molecular Weight288.62 g/mol
Exact Mass287.01
IUPAC Name2-(5-bromo-4-chloro-2-methylphenyl)piperidine
SMILESCc1cc(Cl)c(Br)cc1C1CCCCN1
InChIInChI=1S/C12H15BrClN/c1-8-6-11(14)10(13)7-9(8)12-4-2-3-5-15-12/h6-7,12,15H,2-5H2,1H3
InChIKeyNRXRBMRPWIKPMJ-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.62
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dimethyl-4-piperidin-2-ylaniline
CID 58255114
(2R)-2-(5-bromo-2-chlorophenyl)piperidine
CID 130632446
2-(3-bromo-4-chlorophenyl)azepane
CID 107998182
2-(4-chloro-2-methylphenyl)pyrrolidine
CID 55268605
2-fluoro-4-methyl-5-piperidin-2-ylphenol
CID 84780709
(2S)-2-(4-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 66518685
2-(3-chloro-2-methylphenyl)piperidine
CID 83392215
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
2-(3,5-dichloro-2-methoxyphenyl)piperidine
CID 82301361
2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 117483291
4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol
CID 117352288
2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
CID 84814359

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-chloro-2-methylphenyl)piperidine?
The IUPAC name of 2-(5-bromo-4-chloro-2-methylphenyl)piperidine (CID 84814511) is 2-(5-bromo-4-chloro-2-methylphenyl)piperidine.
What is the SMILES notation for 2-(5-bromo-4-chloro-2-methylphenyl)piperidine?
The canonical SMILES for 2-(5-bromo-4-chloro-2-methylphenyl)piperidine is Cc1cc(Cl)c(Br)cc1C1CCCCN1.
What is the InChIKey of 2-(5-bromo-4-chloro-2-methylphenyl)piperidine?
The InChIKey is NRXRBMRPWIKPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN/c1-8-6-11(14)10(13)7-9(8)12-4-2-3-5-15-12/h6-7,12,15H,2-5H2,1H3.
What are the key properties of 2-(5-bromo-4-chloro-2-methylphenyl)piperidine?
2-(5-bromo-4-chloro-2-methylphenyl)piperidine has a molecular weight of 288.62 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-chloro-2-methylphenyl)piperidine is sourced from PubChem (CID 84814511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).