3-(4-hydroxypiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-one

C17H25NO2 — CID 98019521

IUPAC3-(4-hydroxypiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(C(=O)CCN2CCC(O)CC2)c(C)c1
InChIInChI=1S/C17H25NO2/c1-12-10-13(2)17(14(3)11-12)16(20)6-9-18-7-4-15(19)5-8-18/h10-11,15,19H,4-9H2,1-3H3
InChIKeyMQPPZAWHDAYCFP-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.64
Rot. Bonds4

About 3-(4-hydroxypiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-one

3-(4-hydroxypiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-one (PubChem CID 98019521) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(4-hydroxypiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-hydroxypiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-one
PubChem CID98019521
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(4-hydroxypiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(C(=O)CCN2CCC(O)CC2)c(C)c1
InChIInChI=1S/C17H25NO2/c1-12-10-13(2)17(14(3)11-12)16(20)6-9-18-7-4-15(19)5-8-18/h10-11,15,19H,4-9H2,1-3H3
InChIKeyMQPPZAWHDAYCFP-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol
CID 82485339
1-(4-ethoxy-2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 93193304
3-(azepan-1-yl)-1-(4-ethoxy-2,6-dimethylphenyl)propan-1-one
CID 82053134
1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol
CID 82486099
3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 109014565
1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82136471
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 63764733
2-(azocan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 43219868
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone
CID 64597172
(4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone
CID 116920159
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115560594
4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82079539

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-one?
The IUPAC name of 3-(4-hydroxypiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-one (CID 98019521) is 3-(4-hydroxypiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-hydroxypiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-one?
The canonical SMILES for 3-(4-hydroxypiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-one is Cc1cc(C)c(C(=O)CCN2CCC(O)CC2)c(C)c1.
What is the InChIKey of 3-(4-hydroxypiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-one?
The InChIKey is MQPPZAWHDAYCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-10-13(2)17(14(3)11-12)16(20)6-9-18-7-4-15(19)5-8-18/h10-11,15,19H,4-9H2,1-3H3.
What are the key properties of 3-(4-hydroxypiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-one?
3-(4-hydroxypiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-one has a molecular weight of 275.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-one is sourced from PubChem (CID 98019521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).