1-(4-bromo-2-chlorophenyl)piperidine

C11H13BrClN — CID 84713950

IUPAC1-(4-bromo-2-chlorophenyl)piperidine
SMILESClc1cc(Br)ccc1N1CCCCC1
InChIInChI=1S/C11H13BrClN/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
InChIKeyAASMIVGWGMBKBV-UHFFFAOYSA-N
MW274.59 g/mol
LogP4.09
Rot. Bonds1

About 1-(4-bromo-2-chlorophenyl)piperidine

1-(4-bromo-2-chlorophenyl)piperidine (PubChem CID 84713950) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)piperidine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)piperidine
PubChem CID84713950
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name1-(4-bromo-2-chlorophenyl)piperidine
SMILESClc1cc(Br)ccc1N1CCCCC1
InChIInChI=1S/C11H13BrClN/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
InChIKeyAASMIVGWGMBKBV-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)piperidine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)piperidine (CID 84713950) is 1-(4-bromo-2-chlorophenyl)piperidine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)piperidine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)piperidine is Clc1cc(Br)ccc1N1CCCCC1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)piperidine?
The InChIKey is AASMIVGWGMBKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)piperidine?
1-(4-bromo-2-chlorophenyl)piperidine has a molecular weight of 274.59 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)piperidine is sourced from PubChem (CID 84713950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).