4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one

C16H23NO3 — CID 110480304

IUPAC4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one
SMILESCOc1ccc(C2CCN(C(=O)CCCO)CC2)cc1
InChIInChI=1S/C16H23NO3/c1-20-15-6-4-13(5-7-15)14-8-10-17(11-9-14)16(19)3-2-12-18/h4-7,14,18H,2-3,8-12H2,1H3
InChIKeyOKEHPAAMIDYCGM-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.17
Rot. Bonds5

About 4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one

4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one (PubChem CID 110480304) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one
PubChem CID110480304
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one
SMILESCOc1ccc(C2CCN(C(=O)CCCO)CC2)cc1
InChIInChI=1S/C16H23NO3/c1-20-15-6-4-13(5-7-15)14-8-10-17(11-9-14)16(19)3-2-12-18/h4-7,14,18H,2-3,8-12H2,1H3
InChIKeyOKEHPAAMIDYCGM-UHFFFAOYSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-methoxyphenyl)piperidin-1-yl]-3-oxopropanoic acid
CID 110480149
1-[4-(4-methoxyphenyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 136529409
2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82133438
(2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one
CID 119322388
2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 93480750
1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 96529429
4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119559826
(2S)-2-amino-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 119313373
3-chloro-1-[3-(4-methoxyphenyl)azepan-1-yl]propan-1-one
CID 121146937
3-(4-methoxyphenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)propan-1-one
CID 90522107
2-(2,4-dimethoxyphenyl)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone
CID 47018500
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one (CID 110480304) is 4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one is COc1ccc(C2CCN(C(=O)CCCO)CC2)cc1.
What is the InChIKey of 4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one?
The InChIKey is OKEHPAAMIDYCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-20-15-6-4-13(5-7-15)14-8-10-17(11-9-14)16(19)3-2-12-18/h4-7,14,18H,2-3,8-12H2,1H3.
What are the key properties of 4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one?
4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one has a molecular weight of 277.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 110480304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).