1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one

C16H23NO2 — CID 115277015

IUPAC1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one
SMILESCc1ccccc1CCCC(=O)N1CCCC(O)C1
InChIInChI=1S/C16H23NO2/c1-13-6-2-3-7-14(13)8-4-10-16(19)17-11-5-9-15(18)12-17/h2-3,6-7,15,18H,4-5,8-12H2,1H3
InChIKeyJDCYZCSGKXZPJU-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.30
Rot. Bonds4

About 1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one

1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one (PubChem CID 115277015) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one
PubChem CID115277015
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one
SMILESCc1ccccc1CCCC(=O)N1CCCC(O)C1
InChIInChI=1S/C16H23NO2/c1-13-6-2-3-7-14(13)8-4-10-16(19)17-11-5-9-15(18)12-17/h2-3,6-7,15,18H,4-5,8-12H2,1H3
InChIKeyJDCYZCSGKXZPJU-UHFFFAOYSA-N
XLogP2.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(ethoxymethyl)piperidin-1-yl]-4-(2-methylphenyl)butan-1-one
CID 110418717
3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93032761
1-(3-hydroxypiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one
CID 115277012
1-[3-(2-bromoethyl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 80668955
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 79411304
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 114509852
2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 60654838
2-(2,6-dimethylphenoxy)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 27876650
1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 25386216
2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 26390637
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one (CID 115277015) is 1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one is Cc1ccccc1CCCC(=O)N1CCCC(O)C1.
What is the InChIKey of 1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one?
The InChIKey is JDCYZCSGKXZPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-6-2-3-7-14(13)8-4-10-16(19)17-11-5-9-15(18)12-17/h2-3,6-7,15,18H,4-5,8-12H2,1H3.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one?
1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one has a molecular weight of 261.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one is sourced from PubChem (CID 115277015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).