2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone

C22H26ClNO3 — CID 26407540

IUPAC2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCC[C@@](CO)(CCOc2ccccc2)C1
InChIInChI=1S/C22H26ClNO3/c23-19-7-4-6-18(14-19)15-21(26)24-12-5-10-22(16-24,17-25)11-13-27-20-8-2-1-3-9-20/h1-4,6-9,14,25H,5,10-13,15-17H2/t22-/m1/s1
InChIKeyYYTNRJYRPVNUKH-JOCHJYFZSA-N
MW387.91 g/mol
LogP3.95
Rot. Bonds7

About 2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone

2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone (PubChem CID 26407540) has the molecular formula C22H26ClNO3 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone
PubChem CID26407540
Molecular FormulaC22H26ClNO3
Molecular Weight387.91 g/mol
Exact Mass387.16
IUPAC Name2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCC[C@@](CO)(CCOc2ccccc2)C1
InChIInChI=1S/C22H26ClNO3/c23-19-7-4-6-18(14-19)15-21(26)24-12-5-10-22(16-24,17-25)11-13-27-20-8-2-1-3-9-20/h1-4,6-9,14,25H,5,10-13,15-17H2/t22-/m1/s1
InChIKeyYYTNRJYRPVNUKH-JOCHJYFZSA-N
XLogP3.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

methyl 4-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-4-oxobutanoate
CID 26411573
1-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-3-phenylprop-2-yn-1-one
CID 42565161
2-(3-chlorophenyl)-1-[3-[(4-fluorophenoxy)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]ethanone
CID 110080328
[(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 25305426
1-[(3R)-3-[(dimethylamino)methyl]-3-(hydroxymethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 99946177
[(3R)-3-[(3-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(3-prop-2-enoxyphenyl)methanone
CID 25369962
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(3-chlorophenyl)ethanone
CID 110798191
2,3-dihydro-1,4-benzodioxin-6-yl-[3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 45236488
1-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 97117000
N-benzyl-2-[3-[(3-chlorophenoxy)methyl]-1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]-N-methylacetamide
CID 110079068
2-(3,4-dimethylphenoxy)-1-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]ethanone
CID 97130859
3-hydroxy-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxamide
CID 128988937

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone (CID 26407540) is 2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone is O=C(Cc1cccc(Cl)c1)N1CCC[C@@](CO)(CCOc2ccccc2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone?
The InChIKey is YYTNRJYRPVNUKH-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H26ClNO3/c23-19-7-4-6-18(14-19)15-21(26)24-12-5-10-22(16-24,17-25)11-13-27-20-8-2-1-3-9-20/h1-4,6-9,14,25H,5,10-13,15-17H2/t22-/m1/s1.
What are the key properties of 2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone?
2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone has a molecular weight of 387.91 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 26407540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).