1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one

C15H21NO2 — CID 116563570

IUPAC1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one
SMILESO=C(CCC1CCCCN1)Cc1cccc(O)c1
InChIInChI=1S/C15H21NO2/c17-14-6-3-4-12(10-14)11-15(18)8-7-13-5-1-2-9-16-13/h3-4,6,10,13,16-17H,1-2,5,7-9,11H2
InChIKeyDEOHYWJRACKVOW-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.43
Rot. Bonds5

About 1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one

1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one (PubChem CID 116563570) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one
PubChem CID116563570
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one
SMILESO=C(CCC1CCCCN1)Cc1cccc(O)c1
InChIInChI=1S/C15H21NO2/c17-14-6-3-4-12(10-14)11-15(18)8-7-13-5-1-2-9-16-13/h3-4,6,10,13,16-17H,1-2,5,7-9,11H2
InChIKeyDEOHYWJRACKVOW-UHFFFAOYSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563692
benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate
CID 58375773
1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563786
1-(1-methylpyrazol-4-yl)-4-piperidin-2-ylbutan-2-one
CID 116563728
1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one
CID 141149374
1-phenyl-3-piperidin-2-ylpropan-2-one
CID 22237365
1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one
CID 116564113
3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622282
1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563754
N-[(4-hydroxyphenyl)methyl]-3-piperidin-2-ylpropanamide
CID 114332165
N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide
CID 107599604
N-[2-(3-methylphenyl)ethyl]-3-piperidin-2-ylpropanamide
CID 62315398

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one?
The IUPAC name of 1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one (CID 116563570) is 1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one.
What is the SMILES notation for 1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one?
The canonical SMILES for 1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one is O=C(CCC1CCCCN1)Cc1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one?
The InChIKey is DEOHYWJRACKVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-14-6-3-4-12(10-14)11-15(18)8-7-13-5-1-2-9-16-13/h3-4,6,10,13,16-17H,1-2,5,7-9,11H2.
What are the key properties of 1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one?
1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one is sourced from PubChem (CID 116563570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).