2-(2-bromophenyl)piperidine

C11H14BrN — CID 5115231

IUPAC2-(2-bromophenyl)piperidine
SMILESBrc1ccccc1C1CCCCN1
InChIInChI=1S/C11H14BrN/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11/h1-2,5-6,11,13H,3-4,7-8H2
InChIKeyBZQYYLIFPSPOKO-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.26
Rot. Bonds1

About 2-(2-bromophenyl)piperidine

2-(2-bromophenyl)piperidine (PubChem CID 5115231) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 2-(2-bromophenyl)piperidine.

Molecular Properties

Compound Name2-(2-bromophenyl)piperidine
PubChem CID5115231
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name2-(2-bromophenyl)piperidine
SMILESBrc1ccccc1C1CCCCN1
InChIInChI=1S/C11H14BrN/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11/h1-2,5-6,11,13H,3-4,7-8H2
InChIKeyBZQYYLIFPSPOKO-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)piperidine?
The IUPAC name of 2-(2-bromophenyl)piperidine (CID 5115231) is 2-(2-bromophenyl)piperidine.
What is the SMILES notation for 2-(2-bromophenyl)piperidine?
The canonical SMILES for 2-(2-bromophenyl)piperidine is Brc1ccccc1C1CCCCN1.
What is the InChIKey of 2-(2-bromophenyl)piperidine?
The InChIKey is BZQYYLIFPSPOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11/h1-2,5-6,11,13H,3-4,7-8H2.
What are the key properties of 2-(2-bromophenyl)piperidine?
2-(2-bromophenyl)piperidine has a molecular weight of 240.14 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)piperidine is sourced from PubChem (CID 5115231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).