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

C15H22BrNO — CID 56829684

IUPAC2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine
SMILESCCc1ccc(OCCC2CCCCN2)c(Br)c1
InChIInChI=1S/C15H22BrNO/c1-2-12-6-7-15(14(16)11-12)18-10-8-13-5-3-4-9-17-13/h6-7,11,13,17H,2-5,8-10H2,1H3
InChIKeyXCRXFNBRGIWFDT-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.92
Rot. Bonds5

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

2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine (PubChem CID 56829684) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine
PubChem CID56829684
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine
SMILESCCc1ccc(OCCC2CCCCN2)c(Br)c1
InChIInChI=1S/C15H22BrNO/c1-2-12-6-7-15(14(16)11-12)18-10-8-13-5-3-4-9-17-13/h6-7,11,13,17H,2-5,8-10H2,1H3
InChIKeyXCRXFNBRGIWFDT-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine
CID 86320918
(2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine
CID 86320905
(2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
CID 86321567
(2S)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
CID 86321565
(2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine
CID 28749803
(2S)-2-[2-(4-bromo-2-chlorophenoxy)ethyl]piperidine
CID 86320949
(2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine
CID 86320218
[3-methoxy-4-(2-piperidin-2-ylethoxy)phenyl]methanol
CID 107743173
2-[3-(2-bromo-4-chlorophenoxy)propyl]pyrrolidine
CID 55076617
(2S)-2-[2-(4-bromo-3-methylphenoxy)ethyl]piperidine
CID 86320194
(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine
CID 28749787
(2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine
CID 28749903

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine?
The IUPAC name of 2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine (CID 56829684) is 2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine.
What is the SMILES notation for 2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine?
The canonical SMILES for 2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine is CCc1ccc(OCCC2CCCCN2)c(Br)c1.
What is the InChIKey of 2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine?
The InChIKey is XCRXFNBRGIWFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-2-12-6-7-15(14(16)11-12)18-10-8-13-5-3-4-9-17-13/h6-7,11,13,17H,2-5,8-10H2,1H3.
What are the key properties of 2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine?
2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine has a molecular weight of 312.25 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-4-ethylphenoxy)ethyl]piperidine is sourced from PubChem (CID 56829684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).