3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol

C12H18N2O3S — CID 114680845

IUPAC3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol
SMILESCC1CN(c2ncccc2S(C)(=O)=O)CCC1O
InChIInChI=1S/C12H18N2O3S/c1-9-8-14(7-5-10(9)15)12-11(18(2,16)17)4-3-6-13-12/h3-4,6,9-10,15H,5,7-8H2,1-2H3
InChIKeyNLJVAAIQLYIOSV-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.69
Rot. Bonds2

About 3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol

3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol (PubChem CID 114680845) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol
PubChem CID114680845
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol
SMILESCC1CN(c2ncccc2S(C)(=O)=O)CCC1O
InChIInChI=1S/C12H18N2O3S/c1-9-8-14(7-5-10(9)15)12-11(18(2,16)17)4-3-6-13-12/h3-4,6,9-10,15H,5,7-8H2,1-2H3
InChIKeyNLJVAAIQLYIOSV-UHFFFAOYSA-N
XLogP0.69
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445709
2-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114678869
(3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol
CID 129445700
2-[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]acetic acid
CID 114598312
2-[4-(bromomethyl)piperidin-1-yl]-3-methylsulfonylpyridine
CID 114599919
1-(3-methylsulfonyl-2-pyridinyl)azepane
CID 133498194
methyl 1-(3-methylsulfonyl-2-pyridinyl)piperidine-4-carboxylate
CID 114599507
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 114599563
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine
CID 114599573
2-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 106742544
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine
CID 114599581
1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine
CID 114598203

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol?
The IUPAC name of 3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol (CID 114680845) is 3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol?
The canonical SMILES for 3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol is CC1CN(c2ncccc2S(C)(=O)=O)CCC1O.
What is the InChIKey of 3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol?
The InChIKey is NLJVAAIQLYIOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-8-14(7-5-10(9)15)12-11(18(2,16)17)4-3-6-13-12/h3-4,6,9-10,15H,5,7-8H2,1-2H3.
What are the key properties of 3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol?
3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol has a molecular weight of 270.35 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol is sourced from PubChem (CID 114680845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).