1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one

C15H22N2O2S — CID 56748421

IUPAC1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
SMILESCSCCC(=O)N1CCC(O)(c2ccc(C)cn2)CC1
InChIInChI=1S/C15H22N2O2S/c1-12-3-4-13(16-11-12)15(19)6-8-17(9-7-15)14(18)5-10-20-2/h3-4,11,19H,5-10H2,1-2H3
InChIKeyGRNHRVGIUDPTPC-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.95
Rot. Bonds4

About 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one

1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one (PubChem CID 56748421) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
PubChem CID56748421
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
SMILESCSCCC(=O)N1CCC(O)(c2ccc(C)cn2)CC1
InChIInChI=1S/C15H22N2O2S/c1-12-3-4-13(16-11-12)15(19)6-8-17(9-7-15)14(18)5-10-20-2/h3-4,11,19H,5-10H2,1-2H3
InChIKeyGRNHRVGIUDPTPC-UHFFFAOYSA-N
XLogP1.95
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 56747551
3-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 157012051
3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 56744644
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 56740554
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone
CID 56747203
(5S)-5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
CID 95211215
4-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 119069922
(3,5-dimethyl-4H-1,2-oxazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 56747628
(4-amino-2-pyridinyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 56752037
(3-amino-1H-pyrazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 56741023
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 126433394
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 70726866

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one?
The IUPAC name of 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one (CID 56748421) is 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one.
What is the SMILES notation for 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one?
The canonical SMILES for 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one is CSCCC(=O)N1CCC(O)(c2ccc(C)cn2)CC1.
What is the InChIKey of 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one?
The InChIKey is GRNHRVGIUDPTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-12-3-4-13(16-11-12)15(19)6-8-17(9-7-15)14(18)5-10-20-2/h3-4,11,19H,5-10H2,1-2H3.
What are the key properties of 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one?
1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one has a molecular weight of 294.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one is sourced from PubChem (CID 56748421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).