4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one

C17H25NO2 — CID 98019491

IUPAC4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
SMILESCc1ccc(C)c(CCCC(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C17H25NO2/c1-13-6-7-14(2)15(12-13)4-3-5-17(20)18-10-8-16(19)9-11-18/h6-7,12,16,19H,3-5,8-11H2,1-2H3
InChIKeyKGWWEWMVJQGVFV-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.61
Rot. Bonds4

About 4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one

4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one (PubChem CID 98019491) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
PubChem CID98019491
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
SMILESCc1ccc(C)c(CCCC(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C17H25NO2/c1-13-6-7-14(2)15(12-13)4-3-5-17(20)18-10-8-16(19)9-11-18/h6-7,12,16,19H,3-5,8-11H2,1-2H3
InChIKeyKGWWEWMVJQGVFV-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethylphenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43393931
4-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 82486693
cesium 4-(2,5-dimethylphenyl)butanoate
CID 140689556
6-(2,5-dimethylphenyl)hexan-3-one
CID 64522526
1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one
CID 109378494
4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 110897013
1-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methylphenyl)pentan-1-one
CID 111561727
1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one
CID 115277015
1-[4-(1-chloroethyl)piperidin-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 106838819
1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trimethylphenyl)ethanone
CID 82485265
4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933648
1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 98019528

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one?
The IUPAC name of 4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one (CID 98019491) is 4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one is Cc1ccc(C)c(CCCC(=O)N2CCC(O)CC2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one?
The InChIKey is KGWWEWMVJQGVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-6-7-14(2)15(12-13)4-3-5-17(20)18-10-8-16(19)9-11-18/h6-7,12,16,19H,3-5,8-11H2,1-2H3.
What are the key properties of 4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one?
4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one has a molecular weight of 275.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one is sourced from PubChem (CID 98019491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).