1-[2-[2-[2-(2-hydroxyphenyl)ethyl]-1-methylpiperidin-2-yl]phenyl]ethanone

C22H27NO2 — CID 68746450

IUPAC1-[2-[2-[2-(2-hydroxyphenyl)ethyl]-1-methylpiperidin-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C1(CCc2ccccc2O)CCCCN1C
InChIInChI=1S/C22H27NO2/c1-17(24)19-10-4-5-11-20(19)22(14-7-8-16-23(22)2)15-13-18-9-3-6-12-21(18)25/h3-6,9-12,25H,7-8,13-16H2,1-2H3
InChIKeyGVXQDBVUGQQUET-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.54
Rot. Bonds5

About 1-[2-[2-[2-(2-hydroxyphenyl)ethyl]-1-methylpiperidin-2-yl]phenyl]ethanone

1-[2-[2-[2-(2-hydroxyphenyl)ethyl]-1-methylpiperidin-2-yl]phenyl]ethanone (PubChem CID 68746450) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-hydroxyphenyl)ethyl]-1-methylpiperidin-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[2-(2-hydroxyphenyl)ethyl]-1-methylpiperidin-2-yl]phenyl]ethanone
PubChem CID68746450
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name1-[2-[2-[2-(2-hydroxyphenyl)ethyl]-1-methylpiperidin-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1C1(CCc2ccccc2O)CCCCN1C
InChIInChI=1S/C22H27NO2/c1-17(24)19-10-4-5-11-20(19)22(14-7-8-16-23(22)2)15-13-18-9-3-6-12-21(18)25/h3-6,9-12,25H,7-8,13-16H2,1-2H3
InChIKeyGVXQDBVUGQQUET-UHFFFAOYSA-N
XLogP4.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-hydroxy-1-methylpiperidin-4-yl)phenyl]ethanone
CID 105493011
1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone
CID 115038480
ethane;1-[1-[(2-hydroxyphenyl)methyl]cyclohexyl]ethanone
CID 144506588
1-methyl-2-phenyl-2-propylpyrrolidine
CID 70881193
2-(1-propylcyclohexyl)benzoic acid
CID 174854619
2-benzyl-1-methylpiperidine-2-carboxylic acid
CID 84796305
2-hydroxybenzoic acid;2-(2-hydroxyphenyl)acetic acid
CID 70273337
N-[1-(hydroxymethyl)cyclobutyl]-3-(2-hydroxyphenyl)propanamide
CID 113344785
2-[2-(2-azaspiro[3.3]heptan-2-yl)ethyl]benzoic acid
CID 79694989
2-(hydroxymethyl)phenol;bis(pyrrolidine-1-carboxylic acid)
CID 118271940
1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone
CID 124704358
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-hydroxyphenyl)ethyl]-1-methylpiperidin-2-yl]phenyl]ethanone?
The IUPAC name of 1-[2-[2-[2-(2-hydroxyphenyl)ethyl]-1-methylpiperidin-2-yl]phenyl]ethanone (CID 68746450) is 1-[2-[2-[2-(2-hydroxyphenyl)ethyl]-1-methylpiperidin-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-[2-(2-hydroxyphenyl)ethyl]-1-methylpiperidin-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-[2-(2-hydroxyphenyl)ethyl]-1-methylpiperidin-2-yl]phenyl]ethanone is CC(=O)c1ccccc1C1(CCc2ccccc2O)CCCCN1C.
What is the InChIKey of 1-[2-[2-[2-(2-hydroxyphenyl)ethyl]-1-methylpiperidin-2-yl]phenyl]ethanone?
The InChIKey is GVXQDBVUGQQUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-17(24)19-10-4-5-11-20(19)22(14-7-8-16-23(22)2)15-13-18-9-3-6-12-21(18)25/h3-6,9-12,25H,7-8,13-16H2,1-2H3.
What are the key properties of 1-[2-[2-[2-(2-hydroxyphenyl)ethyl]-1-methylpiperidin-2-yl]phenyl]ethanone?
1-[2-[2-[2-(2-hydroxyphenyl)ethyl]-1-methylpiperidin-2-yl]phenyl]ethanone has a molecular weight of 337.46 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-hydroxyphenyl)ethyl]-1-methylpiperidin-2-yl]phenyl]ethanone is sourced from PubChem (CID 68746450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).