1-(2-bromophenyl)piperidine

C11H14BrN — CID 13231828

IUPAC1-(2-bromophenyl)piperidine
SMILESBrc1ccccc1N1CCCCC1
InChIInChI=1S/C11H14BrN/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2
InChIKeyULDSFDQNVQGLCC-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.44
Rot. Bonds1

About 1-(2-bromophenyl)piperidine

1-(2-bromophenyl)piperidine (PubChem CID 13231828) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-(2-bromophenyl)piperidine.

Molecular Properties

Compound Name1-(2-bromophenyl)piperidine
PubChem CID13231828
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name1-(2-bromophenyl)piperidine
SMILESBrc1ccccc1N1CCCCC1
InChIInChI=1S/C11H14BrN/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2
InChIKeyULDSFDQNVQGLCC-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)piperidine?
The IUPAC name of 1-(2-bromophenyl)piperidine (CID 13231828) is 1-(2-bromophenyl)piperidine.
What is the SMILES notation for 1-(2-bromophenyl)piperidine?
The canonical SMILES for 1-(2-bromophenyl)piperidine is Brc1ccccc1N1CCCCC1.
What is the InChIKey of 1-(2-bromophenyl)piperidine?
The InChIKey is ULDSFDQNVQGLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2.
What are the key properties of 1-(2-bromophenyl)piperidine?
1-(2-bromophenyl)piperidine has a molecular weight of 240.14 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)piperidine is sourced from PubChem (CID 13231828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).