2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine

C13H17BrClN — CID 104703723

IUPAC2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine
SMILESClc1cc(Br)ccc1CCC1CCCCN1
InChIInChI=1S/C13H17BrClN/c14-11-6-4-10(13(15)9-11)5-7-12-3-1-2-8-16-12/h4,6,9,12,16H,1-3,5,7-8H2
InChIKeyFKVIOAXXNDTXCI-UHFFFAOYSA-N
MW302.64 g/mol
LogP4.18
Rot. Bonds3

About 2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine

2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine (PubChem CID 104703723) has the molecular formula C13H17BrClN and a molecular weight of 302.64 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine
PubChem CID104703723
Molecular FormulaC13H17BrClN
Molecular Weight302.64 g/mol
Exact Mass301.02
IUPAC Name2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine
SMILESClc1cc(Br)ccc1CCC1CCCCN1
InChIInChI=1S/C13H17BrClN/c14-11-6-4-10(13(15)9-11)5-7-12-3-1-2-8-16-12/h4,6,9,12,16H,1-3,5,7-8H2
InChIKeyFKVIOAXXNDTXCI-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine
CID 104703835
(2S)-2-[2-(4-bromo-2-chlorophenoxy)ethyl]piperidine
CID 86320949
(2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine
CID 86320905
2-[2-(4-bromophenyl)ethyl]pyrrolidine
CID 82088395
N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119753695
2-(azepan-2-yl)-1-(4-bromo-2-chlorophenyl)ethanol
CID 82780210
2-(azocan-2-yl)-1-(4-bromo-2-chlorophenyl)ethanone
CID 114239637
4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630528
4-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114794001
4-bromo-2-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972468
2-[2-(4-bromothiophen-2-yl)ethyl]azepane
CID 107355607
2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol
CID 106640010

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine?
The IUPAC name of 2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine (CID 104703723) is 2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine.
What is the SMILES notation for 2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine?
The canonical SMILES for 2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine is Clc1cc(Br)ccc1CCC1CCCCN1.
What is the InChIKey of 2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine?
The InChIKey is FKVIOAXXNDTXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN/c14-11-6-4-10(13(15)9-11)5-7-12-3-1-2-8-16-12/h4,6,9,12,16H,1-3,5,7-8H2.
What are the key properties of 2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine?
2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine has a molecular weight of 302.64 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine is sourced from PubChem (CID 104703723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).