[3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol

C13H25NO3S — CID 72923462

IUPAC[3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
SMILESCS(=O)(=O)CCN1CCCC(CO)(CC2CC2)C1
InChIInChI=1S/C13H25NO3S/c1-18(16,17)8-7-14-6-2-5-13(10-14,11-15)9-12-3-4-12/h12,15H,2-11H2,1H3
InChIKeyZQWVGXFUPWATQQ-UHFFFAOYSA-N
MW275.41 g/mol
LogP0.91
Rot. Bonds6

About [3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol

[3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol (PubChem CID 72923462) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is [3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
PubChem CID72923462
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name[3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
SMILESCS(=O)(=O)CCN1CCCC(CO)(CC2CC2)C1
InChIInChI=1S/C13H25NO3S/c1-18(16,17)8-7-14-6-2-5-13(10-14,11-15)9-12-3-4-12/h12,15H,2-11H2,1H3
InChIKeyZQWVGXFUPWATQQ-UHFFFAOYSA-N
XLogP0.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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{3-(2-Methoxyethyl)-1-[2-(methylsulfonyl)ethyl]-3-piperidinyl}methanol
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3-[1-(2-Methylsulfonylethyl)piperidin-3-yl]propan-1-ol
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[1-(2-Methylsulfonylethyl)piperidin-3-yl]methanol
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1-[1-(2-Methylsulfonylethyl)piperidin-3-yl]ethanol
CID 174389196
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[1-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]cycloheptyl]methanol
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[1-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]-3-methylcyclohexyl]methanol
CID 65920812
[1-[(1-Methylsulfonylpiperidin-3-yl)methyl]cyclopropyl]methanol
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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol?
The IUPAC name of [3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol (CID 72923462) is [3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol is CS(=O)(=O)CCN1CCCC(CO)(CC2CC2)C1.
What is the InChIKey of [3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol?
The InChIKey is ZQWVGXFUPWATQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-18(16,17)8-7-14-6-2-5-13(10-14,11-15)9-12-3-4-12/h12,15H,2-11H2,1H3.
What are the key properties of [3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol?
[3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol has a molecular weight of 275.41 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 72923462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).