1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol

C14H22N2O3S — CID 79610988

IUPAC1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol
SMILESCS(=O)(=O)N1CCCC(CC(O)Cc2ccncc2)C1
InChIInChI=1S/C14H22N2O3S/c1-20(18,19)16-8-2-3-13(11-16)10-14(17)9-12-4-6-15-7-5-12/h4-7,13-14,17H,2-3,8-11H2,1H3
InChIKeyPYTOSAOFFSTUBB-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.05
Rot. Bonds5

About 1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol

1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol (PubChem CID 79610988) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol
PubChem CID79610988
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol
SMILESCS(=O)(=O)N1CCCC(CC(O)Cc2ccncc2)C1
InChIInChI=1S/C14H22N2O3S/c1-20(18,19)16-8-2-3-13(11-16)10-14(17)9-12-4-6-15-7-5-12/h4-7,13-14,17H,2-3,8-11H2,1H3
InChIKeyPYTOSAOFFSTUBB-UHFFFAOYSA-N
XLogP1.05
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol
CID 105113315
2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol
CID 79612108
1-cyclobutyl-3-pyridin-4-ylpropan-2-ol
CID 65457180
1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol
CID 79609797
1-(2-methylpropylsulfanyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
CID 79609309
1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79610493
1-(5-chlorofuran-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 106693883
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine
CID 79609569
1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 115820325
2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 79619745
1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol
CID 115820309
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol?
The IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol (CID 79610988) is 1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol is CS(=O)(=O)N1CCCC(CC(O)Cc2ccncc2)C1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol?
The InChIKey is PYTOSAOFFSTUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-20(18,19)16-8-2-3-13(11-16)10-14(17)9-12-4-6-15-7-5-12/h4-7,13-14,17H,2-3,8-11H2,1H3.
What are the key properties of 1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol?
1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol has a molecular weight of 298.41 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol is sourced from PubChem (CID 79610988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).