1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone

C13H17NO2 — CID 84684796

IUPAC1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
SMILESO=C(CC1CCCCN1)c1ccccc1O
InChIInChI=1S/C13H17NO2/c15-12-7-2-1-6-11(12)13(16)9-10-5-3-4-8-14-10/h1-2,6-7,10,14-15H,3-5,8-9H2
InChIKeyQVKARUBUNLOWSO-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.11
Rot. Bonds3

About 1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone

1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone (PubChem CID 84684796) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
PubChem CID84684796
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
SMILESO=C(CC1CCCCN1)c1ccccc1O
InChIInChI=1S/C13H17NO2/c15-12-7-2-1-6-11(12)13(16)9-10-5-3-4-8-14-10/h1-2,6-7,10,14-15H,3-5,8-9H2
InChIKeyQVKARUBUNLOWSO-UHFFFAOYSA-N
XLogP2.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone
CID 79538703
2-(azepan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 79539404
2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone
CID 79536019
1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone
CID 114607499
2-piperidin-2-yl-1-pyridin-2-ylethanone
CID 79539171
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
1-phenyl-3-piperidin-2-ylpropan-2-one
CID 22237365
2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114239619
1-(1H-indol-3-yl)-2-pyrrolidin-2-ylethanone
CID 116916989
2-(azepan-2-yl)-1-(2,4-dichlorophenyl)ethanone
CID 79538236
1-(3-aminophenyl)-2-piperidin-2-ylethanone
CID 84683969
1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone
CID 129368395

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone?
The IUPAC name of 1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone (CID 84684796) is 1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone.
What is the SMILES notation for 1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone?
The canonical SMILES for 1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone is O=C(CC1CCCCN1)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone?
The InChIKey is QVKARUBUNLOWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-12-7-2-1-6-11(12)13(16)9-10-5-3-4-8-14-10/h1-2,6-7,10,14-15H,3-5,8-9H2.
What are the key properties of 1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone?
1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone has a molecular weight of 219.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone is sourced from PubChem (CID 84684796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).