4-(3-bromophenyl)piperidine;hydrochloride

C11H15BrClN — CID 46735221

IUPAC4-(3-bromophenyl)piperidine;hydrochloride
SMILESBrc1cccc(C2CCNCC2)c1.Cl
InChIInChI=1S/C11H14BrN.ClH/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9;/h1-3,8-9,13H,4-7H2;1H
InChIKeyASSSYFRUQWDFMT-UHFFFAOYSA-N
MW276.60 g/mol
LogP3.34
Rot. Bonds1

About 4-(3-bromophenyl)piperidine;hydrochloride

4-(3-bromophenyl)piperidine;hydrochloride (PubChem CID 46735221) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is 4-(3-bromophenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(3-bromophenyl)piperidine;hydrochloride
PubChem CID46735221
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC Name4-(3-bromophenyl)piperidine;hydrochloride
SMILESBrc1cccc(C2CCNCC2)c1.Cl
InChIInChI=1S/C11H14BrN.ClH/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9;/h1-3,8-9,13H,4-7H2;1H
InChIKeyASSSYFRUQWDFMT-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
4-(3-bromophenyl)-1-piperidin-4-ylpiperidine
CID 84605686
4-(4-bromophenyl)piperidine;hydrochloride
CID 44630758
4-(3-phenylphenyl)piperidine
CID 54258001
4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431735
4-phenylpiperidine;sulfane;hydrochloride
CID 174499697
4-(3-bromophenyl)-2,2-dimethylpiperidine
CID 117258218
4-(3-bromophenyl)-3,3-difluoropiperidine
CID 105426890
4-(3-nitrosophenyl)piperidine
CID 142849133
4-(3-bromophenyl)-3-fluoropiperidine
CID 105426889
2-(3-bromophenyl)imidazolidine
CID 57237390
3-(3-bromophenyl)-4-cyclopropylpiperidine
CID 79432038

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)piperidine;hydrochloride?
The IUPAC name of 4-(3-bromophenyl)piperidine;hydrochloride (CID 46735221) is 4-(3-bromophenyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(3-bromophenyl)piperidine;hydrochloride?
The canonical SMILES for 4-(3-bromophenyl)piperidine;hydrochloride is Brc1cccc(C2CCNCC2)c1.Cl.
What is the InChIKey of 4-(3-bromophenyl)piperidine;hydrochloride?
The InChIKey is ASSSYFRUQWDFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN.ClH/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9;/h1-3,8-9,13H,4-7H2;1H.
What are the key properties of 4-(3-bromophenyl)piperidine;hydrochloride?
4-(3-bromophenyl)piperidine;hydrochloride has a molecular weight of 276.60 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)piperidine;hydrochloride is sourced from PubChem (CID 46735221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).