4-(4-chloro-2-ethylphenoxy)piperidine

C13H18ClNO — CID 22397478

IUPAC4-(4-chloro-2-ethylphenoxy)piperidine
SMILESCCc1cc(Cl)ccc1OC1CCNCC1
InChIInChI=1S/C13H18ClNO/c1-2-10-9-11(14)3-4-13(10)16-12-5-7-15-8-6-12/h3-4,9,12,15H,2,5-8H2,1H3
InChIKeyACBAMBGSIWNLTL-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.03
Rot. Bonds3

About 4-(4-chloro-2-ethylphenoxy)piperidine

4-(4-chloro-2-ethylphenoxy)piperidine (PubChem CID 22397478) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-(4-chloro-2-ethylphenoxy)piperidine.

Molecular Properties

Compound Name4-(4-chloro-2-ethylphenoxy)piperidine
PubChem CID22397478
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-(4-chloro-2-ethylphenoxy)piperidine
SMILESCCc1cc(Cl)ccc1OC1CCNCC1
InChIInChI=1S/C13H18ClNO/c1-2-10-9-11(14)3-4-13(10)16-12-5-7-15-8-6-12/h3-4,9,12,15H,2,5-8H2,1H3
InChIKeyACBAMBGSIWNLTL-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-ethyl-4-fluorophenoxy)piperidine
CID 22397525
4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830862
4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
CID 86322426
4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
CID 46735703
(3S)-3-(4-bromo-2-ethylphenoxy)pyrrolidine
CID 86321972
4-(4-chloro-2-cyclohexylphenoxy)piperidine
CID 22397483
4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride
CID 56830986
4-chloro-2-(chloromethyl)-1-cyclopentyloxybenzene
CID 43141955
4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene
CID 64748332
4-[4-chloro-2-(trifluoromethoxy)phenoxy]piperidine;hydrochloride
CID 159278174
2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene
CID 64748532
2-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrrolidine
CID 117418732

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-ethylphenoxy)piperidine?
The IUPAC name of 4-(4-chloro-2-ethylphenoxy)piperidine (CID 22397478) is 4-(4-chloro-2-ethylphenoxy)piperidine.
What is the SMILES notation for 4-(4-chloro-2-ethylphenoxy)piperidine?
The canonical SMILES for 4-(4-chloro-2-ethylphenoxy)piperidine is CCc1cc(Cl)ccc1OC1CCNCC1.
What is the InChIKey of 4-(4-chloro-2-ethylphenoxy)piperidine?
The InChIKey is ACBAMBGSIWNLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-2-10-9-11(14)3-4-13(10)16-12-5-7-15-8-6-12/h3-4,9,12,15H,2,5-8H2,1H3.
What are the key properties of 4-(4-chloro-2-ethylphenoxy)piperidine?
4-(4-chloro-2-ethylphenoxy)piperidine has a molecular weight of 239.75 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-ethylphenoxy)piperidine is sourced from PubChem (CID 22397478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).