4-(3-bromophenyl)-2,2-dimethylpiperidine

C13H18BrN — CID 117258218

IUPAC4-(3-bromophenyl)-2,2-dimethylpiperidine
SMILESCC1(C)CC(c2cccc(Br)c2)CCN1
InChIInChI=1S/C13H18BrN/c1-13(2)9-11(6-7-15-13)10-4-3-5-12(14)8-10/h3-5,8,11,15H,6-7,9H2,1-2H3
InChIKeyBJQCFZKESQAKBE-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.69
Rot. Bonds1

About 4-(3-bromophenyl)-2,2-dimethylpiperidine

4-(3-bromophenyl)-2,2-dimethylpiperidine (PubChem CID 117258218) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2,2-dimethylpiperidine.

Molecular Properties

Compound Name4-(3-bromophenyl)-2,2-dimethylpiperidine
PubChem CID117258218
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name4-(3-bromophenyl)-2,2-dimethylpiperidine
SMILESCC1(C)CC(c2cccc(Br)c2)CCN1
InChIInChI=1S/C13H18BrN/c1-13(2)9-11(6-7-15-13)10-4-3-5-12(14)8-10/h3-5,8,11,15H,6-7,9H2,1-2H3
InChIKeyBJQCFZKESQAKBE-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-bromophenyl)piperidine;hydrochloride
CID 46735221
4-(5-bromothiophen-2-yl)-2,2-dimethylpiperidine
CID 117258210
3-(3-cyclopropylphenyl)-2,2-dimethylpyrrolidine
CID 79979954
2-(3-bromophenyl)-4-fluoro-2-methylpiperidine
CID 115050602
4-(3-bromophenyl)-3,3-difluoropiperidine
CID 105426890
2-(2,2-dimethylpiperidin-4-yl)pyridine
CID 117258212
5-(3-bromophenyl)-9,9-dimethyl-3-azaspiro[5.5]undecane
CID 79433285
methyl 4-(3-fluorophenyl)-2-methylpiperidine-2-carboxylate
CID 117258353
1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene
CID 97296884
2-(3-bromophenyl)imidazolidine
CID 57237390
4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431735
2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride
CID 115053306

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2,2-dimethylpiperidine?
The IUPAC name of 4-(3-bromophenyl)-2,2-dimethylpiperidine (CID 117258218) is 4-(3-bromophenyl)-2,2-dimethylpiperidine.
What is the SMILES notation for 4-(3-bromophenyl)-2,2-dimethylpiperidine?
The canonical SMILES for 4-(3-bromophenyl)-2,2-dimethylpiperidine is CC1(C)CC(c2cccc(Br)c2)CCN1.
What is the InChIKey of 4-(3-bromophenyl)-2,2-dimethylpiperidine?
The InChIKey is BJQCFZKESQAKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-13(2)9-11(6-7-15-13)10-4-3-5-12(14)8-10/h3-5,8,11,15H,6-7,9H2,1-2H3.
What are the key properties of 4-(3-bromophenyl)-2,2-dimethylpiperidine?
4-(3-bromophenyl)-2,2-dimethylpiperidine has a molecular weight of 268.20 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2,2-dimethylpiperidine is sourced from PubChem (CID 117258218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).