3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine

C13H17BrClN — CID 10040630

IUPAC3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine
SMILESClc1ccc(Br)cc1CCC1CCCNC1
InChIInChI=1S/C13H17BrClN/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10/h5-6,8,10,16H,1-4,7,9H2
InChIKeyDODOBJJBECRINB-UHFFFAOYSA-N
MW302.64 g/mol
LogP4.03
Rot. Bonds3

About 3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine

3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine (PubChem CID 10040630) has the molecular formula C13H17BrClN and a molecular weight of 302.64 g/mol. Its IUPAC name is 3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine
PubChem CID10040630
Molecular FormulaC13H17BrClN
Molecular Weight302.64 g/mol
Exact Mass301.02
IUPAC Name3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine
SMILESClc1ccc(Br)cc1CCC1CCCNC1
InChIInChI=1S/C13H17BrClN/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10/h5-6,8,10,16H,1-4,7,9H2
InChIKeyDODOBJJBECRINB-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.64
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine?
The IUPAC name of 3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine (CID 10040630) is 3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine.
What is the SMILES notation for 3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine?
The canonical SMILES for 3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine is Clc1ccc(Br)cc1CCC1CCCNC1.
What is the InChIKey of 3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine?
The InChIKey is DODOBJJBECRINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10/h5-6,8,10,16H,1-4,7,9H2.
What are the key properties of 3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine?
3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine has a molecular weight of 302.64 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-bromo-2-chlorophenyl)ethyl]piperidine is sourced from PubChem (CID 10040630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).