2-(5-chloro-2-ethoxyphenyl)piperidine;hydrochloride

C13H19Cl2NO — CID 17389940

IUPAC2-(5-chloro-2-ethoxyphenyl)piperidine;hydrochloride
SMILESCCOc1ccc(Cl)cc1C1CCCCN1.Cl
InChIInChI=1S/C13H18ClNO.ClH/c1-2-16-13-7-6-10(14)9-11(13)12-5-3-4-8-15-12;/h6-7,9,12,15H,2-5,8H2,1H3;1H
InChIKeyYUMOSCJHTPPROJ-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.98
Rot. Bonds3

About 2-(5-chloro-2-ethoxyphenyl)piperidine;hydrochloride

2-(5-chloro-2-ethoxyphenyl)piperidine;hydrochloride (PubChem CID 17389940) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-(5-chloro-2-ethoxyphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name2-(5-chloro-2-ethoxyphenyl)piperidine;hydrochloride
PubChem CID17389940
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name2-(5-chloro-2-ethoxyphenyl)piperidine;hydrochloride
SMILESCCOc1ccc(Cl)cc1C1CCCCN1.Cl
InChIInChI=1S/C13H18ClNO.ClH/c1-2-16-13-7-6-10(14)9-11(13)12-5-3-4-8-15-12;/h6-7,9,12,15H,2-5,8H2,1H3;1H
InChIKeyYUMOSCJHTPPROJ-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-ethoxyphenyl)piperidine;hydrochloride?
The IUPAC name of 2-(5-chloro-2-ethoxyphenyl)piperidine;hydrochloride (CID 17389940) is 2-(5-chloro-2-ethoxyphenyl)piperidine;hydrochloride.
What is the SMILES notation for 2-(5-chloro-2-ethoxyphenyl)piperidine;hydrochloride?
The canonical SMILES for 2-(5-chloro-2-ethoxyphenyl)piperidine;hydrochloride is CCOc1ccc(Cl)cc1C1CCCCN1.Cl.
What is the InChIKey of 2-(5-chloro-2-ethoxyphenyl)piperidine;hydrochloride?
The InChIKey is YUMOSCJHTPPROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO.ClH/c1-2-16-13-7-6-10(14)9-11(13)12-5-3-4-8-15-12;/h6-7,9,12,15H,2-5,8H2,1H3;1H.
What are the key properties of 2-(5-chloro-2-ethoxyphenyl)piperidine;hydrochloride?
2-(5-chloro-2-ethoxyphenyl)piperidine;hydrochloride has a molecular weight of 276.21 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-ethoxyphenyl)piperidine;hydrochloride is sourced from PubChem (CID 17389940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).