2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol

C15H21Cl2NO2 — CID 60690332

IUPAC2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO2/c16-12-4-5-15(14(17)11-12)20-10-8-18-7-2-1-3-13(18)6-9-19/h4-5,11,13,19H,1-3,6-10H2
InChIKeyGDERJUZZQBAXEK-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.61
Rot. Bonds6

About 2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol

2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol (PubChem CID 60690332) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is 2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol
PubChem CID60690332
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Name2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO2/c16-12-4-5-15(14(17)11-12)20-10-8-18-7-2-1-3-13(18)6-9-19/h4-5,11,13,19H,1-3,6-10H2
InChIKeyGDERJUZZQBAXEK-UHFFFAOYSA-N
XLogP3.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(2-chlorophenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690193
2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol
CID 60690500
2-[1-[2-(2-methylphenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690162
1-(2,5-dichlorophenoxy)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 110877407
1-[2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]ethoxy]phenyl]ethanone
CID 60690046
1-[2-(2,4-dichlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440816
2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
CID 63470319
2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
CID 102676706
(2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 97027964
1-[2-(2-methoxy-4-methylphenoxy)ethyl]-2-(3-methoxypropyl)piperidine
CID 134712618
1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone
CID 113220137
3-chloro-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzonitrile
CID 103603446

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol (CID 60690332) is 2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol is OCCC1CCCCN1CCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol?
The InChIKey is GDERJUZZQBAXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c16-12-4-5-15(14(17)11-12)20-10-8-18-7-2-1-3-13(18)6-9-19/h4-5,11,13,19H,1-3,6-10H2.
What are the key properties of 2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol?
2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol has a molecular weight of 318.24 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 60690332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).