4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride

C13H19Cl2NO — CID 56830986

IUPAC4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride
SMILESCCc1cc(OC2CCNCC2)ccc1Cl.Cl
InChIInChI=1S/C13H18ClNO.ClH/c1-2-10-9-12(3-4-13(10)14)16-11-5-7-15-8-6-11;/h3-4,9,11,15H,2,5-8H2,1H3;1H
InChIKeyZKOIHYUCGDYMHG-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.45
Rot. Bonds3

About 4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride

4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride (PubChem CID 56830986) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride
PubChem CID56830986
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride
SMILESCCc1cc(OC2CCNCC2)ccc1Cl.Cl
InChIInChI=1S/C13H18ClNO.ClH/c1-2-10-9-12(3-4-13(10)14)16-11-5-7-15-8-6-11;/h3-4,9,11,15H,2,5-8H2,1H3;1H
InChIKeyZKOIHYUCGDYMHG-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride?
The IUPAC name of 4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride (CID 56830986) is 4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride.
What is the SMILES notation for 4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride?
The canonical SMILES for 4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride is CCc1cc(OC2CCNCC2)ccc1Cl.Cl.
What is the InChIKey of 4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride?
The InChIKey is ZKOIHYUCGDYMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO.ClH/c1-2-10-9-12(3-4-13(10)14)16-11-5-7-15-8-6-11;/h3-4,9,11,15H,2,5-8H2,1H3;1H.
What are the key properties of 4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride?
4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride has a molecular weight of 276.21 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride is sourced from PubChem (CID 56830986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).