1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine

C13H17BrClNO — CID 803399

IUPAC1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
SMILESClc1ccc(OCCN2CCCCC2)c(Br)c1
InChIInChI=1S/C13H17BrClNO/c14-12-10-11(15)4-5-13(12)17-9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9H2
InChIKeyTYOMQRWPSNYRNW-UHFFFAOYSA-N
MW318.64 g/mol
LogP3.97
Rot. Bonds4

About 1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine

1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine (PubChem CID 803399) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
PubChem CID803399
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
SMILESClc1ccc(OCCN2CCCCC2)c(Br)c1
InChIInChI=1S/C13H17BrClNO/c14-12-10-11(15)4-5-13(12)17-9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9H2
InChIKeyTYOMQRWPSNYRNW-UHFFFAOYSA-N
XLogP3.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-bromo-4-chlorophenoxy)ethyl]-4-ethylpiperazine
CID 973313
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
1-[2-(2-bromo-4-chlorophenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917465
(3R)-1-[2-(2-bromo-4-chlorophenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905237
(1R)-1-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 78938265
[4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 55179828
1-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine;oxalic acid
CID 16614087
1-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]piperazine
CID 66195593
1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3-methylpiperazine;hydrochloride
CID 119924404
1-[2-(5-chloro-2-ethenylphenoxy)ethyl]pyrrolidine
CID 59327262
1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine
CID 2263109
1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine
CID 54928974

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine?
The IUPAC name of 1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine (CID 803399) is 1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine is Clc1ccc(OCCN2CCCCC2)c(Br)c1.
What is the InChIKey of 1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine?
The InChIKey is TYOMQRWPSNYRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c14-12-10-11(15)4-5-13(12)17-9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9H2.
What are the key properties of 1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine?
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine has a molecular weight of 318.64 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine is sourced from PubChem (CID 803399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).