2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone

C19H26ClNO3 — CID 78889023

IUPAC2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1C1CCCCC1)N1CCCC(O)C1
InChIInChI=1S/C19H26ClNO3/c20-15-8-9-18(17(11-15)14-5-2-1-3-6-14)24-13-19(23)21-10-4-7-16(22)12-21/h8-9,11,14,16,22H,1-7,10,12-13H2
InChIKeyJYEUSWLCNYBXST-UHFFFAOYSA-N
MW351.87 g/mol
LogP3.75
Rot. Bonds4

About 2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone

2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 78889023) has the molecular formula C19H26ClNO3 and a molecular weight of 351.87 g/mol. Its IUPAC name is 2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
PubChem CID78889023
Molecular FormulaC19H26ClNO3
Molecular Weight351.87 g/mol
Exact Mass351.16
IUPAC Name2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1C1CCCCC1)N1CCCC(O)C1
InChIInChI=1S/C19H26ClNO3/c20-15-8-9-18(17(11-15)14-5-2-1-3-6-14)24-13-19(23)21-10-4-7-16(22)12-21/h8-9,11,14,16,22H,1-7,10,12-13H2
InChIKeyJYEUSWLCNYBXST-UHFFFAOYSA-N
XLogP3.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.87
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-[2-(4-chloro-2-cyclohexylphenoxy)acetyl]morpholine-2-carboxamide
CID 94370840
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 107224280
2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390712
2-(4-chloro-2-cyclohexylphenoxy)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]ethanone
CID 55773325
ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate
CID 11688175
2-(4-chloro-2-cyclohexylphenoxy)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 125418862
2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390761
(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 8578422
2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide
CID 107224218
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride
CID 119592635
1-[2-(2-bromo-4-chlorophenoxy)acetyl]piperidine-3-carbohydrazide
CID 54793924
5-(4-chloro-2-cyclohexylphenoxy)pentanoic acid
CID 43351580

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone (CID 78889023) is 2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone is O=C(COc1ccc(Cl)cc1C1CCCCC1)N1CCCC(O)C1.
What is the InChIKey of 2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone?
The InChIKey is JYEUSWLCNYBXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClNO3/c20-15-8-9-18(17(11-15)14-5-2-1-3-6-14)24-13-19(23)21-10-4-7-16(22)12-21/h8-9,11,14,16,22H,1-7,10,12-13H2.
What are the key properties of 2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone?
2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone has a molecular weight of 351.87 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 78889023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).