2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone

C20H22ClNO3 — CID 71060557

IUPAC2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCC(COc2ccc(O)cc2)CC1
InChIInChI=1S/C20H22ClNO3/c21-17-3-1-15(2-4-17)13-20(24)22-11-9-16(10-12-22)14-25-19-7-5-18(23)6-8-19/h1-8,16,23H,9-14H2
InChIKeyYCHYYOVXMIGSJK-UHFFFAOYSA-N
MW359.85 g/mol
LogP3.91
Rot. Bonds5

About 2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone

2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone (PubChem CID 71060557) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone
PubChem CID71060557
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCC(COc2ccc(O)cc2)CC1
InChIInChI=1S/C20H22ClNO3/c21-17-3-1-15(2-4-17)13-20(24)22-11-9-16(10-12-22)14-25-19-7-5-18(23)6-8-19/h1-8,16,23H,9-14H2
InChIKeyYCHYYOVXMIGSJK-UHFFFAOYSA-N
XLogP3.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminooxymethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 39382607
2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108561465
(3,4-dichlorophenyl)methyl 4-[(4-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 67237810
2-(4-chlorophenyl)-1-[(3S)-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 58737477
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78806252
3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
CID 62215948
2-(4-ethoxyphenyl)-1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 110411560
2-(4-hydroxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43393427
2-(4-chlorophenyl)-1-[4-(methylsulfonylmethyl)piperidin-1-yl]ethanone
CID 110736048
2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110465876
2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150427
1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone
CID 110477076

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone (CID 71060557) is 2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CCC(COc2ccc(O)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone?
The InChIKey is YCHYYOVXMIGSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c21-17-3-1-15(2-4-17)13-20(24)22-11-9-16(10-12-22)14-25-19-7-5-18(23)6-8-19/h1-8,16,23H,9-14H2.
What are the key properties of 2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone has a molecular weight of 359.85 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71060557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).