1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone

C15H22N2O2 — CID 78946629

IUPAC1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
SMILESCN(C)C1CCCN(C(=O)Cc2ccccc2O)C1
InChIInChI=1S/C15H22N2O2/c1-16(2)13-7-5-9-17(11-13)15(19)10-12-6-3-4-8-14(12)18/h3-4,6,8,13,18H,5,7,9-11H2,1-2H3
InChIKeyJIPVUZNTSBAOBF-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.49
Rot. Bonds3

About 1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone

1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone (PubChem CID 78946629) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
PubChem CID78946629
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
SMILESCN(C)C1CCCN(C(=O)Cc2ccccc2O)C1
InChIInChI=1S/C15H22N2O2/c1-16(2)13-7-5-9-17(11-13)15(19)10-12-6-3-4-8-14(12)18/h3-4,6,8,13,18H,5,7,9-11H2,1-2H3
InChIKeyJIPVUZNTSBAOBF-UHFFFAOYSA-N
XLogP1.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 80740895
2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone
CID 141126673
1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone
CID 174895598
1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 80740906
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
CID 131155211
1-(4-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78992664
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990769
(2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 114344485
2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81427817
1-[(4S)-4-(dimethylamino)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 95724805
2-[[(4R)-1-[2-(2-bromophenyl)acetyl]azepan-4-yl]-methylamino]acetic acid
CID 129399166
2-[[(4S)-1-[2-(2-bromophenyl)acetyl]azepan-4-yl]-methylamino]acetic acid
CID 129399167

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone?
The IUPAC name of 1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone (CID 78946629) is 1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone?
The canonical SMILES for 1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone is CN(C)C1CCCN(C(=O)Cc2ccccc2O)C1.
What is the InChIKey of 1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone?
The InChIKey is JIPVUZNTSBAOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16(2)13-7-5-9-17(11-13)15(19)10-12-6-3-4-8-14(12)18/h3-4,6,8,13,18H,5,7,9-11H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone?
1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone is sourced from PubChem (CID 78946629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).