4-(4-bromophenyl)piperidine

C11H14BrN — CID 2757159

IUPAC4-(4-bromophenyl)piperidine
SMILESBrc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C11H14BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2
InChIKeyZKABWLFDCJKQRE-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.92
Rot. Bonds1

About 4-(4-bromophenyl)piperidine

4-(4-bromophenyl)piperidine (PubChem CID 2757159) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 4-(4-bromophenyl)piperidine.

Molecular Properties

Compound Name4-(4-bromophenyl)piperidine
PubChem CID2757159
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name4-(4-bromophenyl)piperidine
SMILESBrc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C11H14BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2
InChIKeyZKABWLFDCJKQRE-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)piperidine?
The IUPAC name of 4-(4-bromophenyl)piperidine (CID 2757159) is 4-(4-bromophenyl)piperidine.
What is the SMILES notation for 4-(4-bromophenyl)piperidine?
The canonical SMILES for 4-(4-bromophenyl)piperidine is Brc1ccc(C2CCNCC2)cc1.
What is the InChIKey of 4-(4-bromophenyl)piperidine?
The InChIKey is ZKABWLFDCJKQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2.
What are the key properties of 4-(4-bromophenyl)piperidine?
4-(4-bromophenyl)piperidine has a molecular weight of 240.14 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)piperidine is sourced from PubChem (CID 2757159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).