[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methanol

C13H25NO3S — CID 54947420

IUPAC[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methanol
SMILESO=S(=O)(CC1CCCCC1)N1CCCCC1CO
InChIInChI=1S/C13H25NO3S/c15-10-13-8-4-5-9-14(13)18(16,17)11-12-6-2-1-3-7-12/h12-13,15H,1-11H2
InChIKeyYVQSBUBDTUSITO-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.74
Rot. Bonds4

About [1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methanol

[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methanol (PubChem CID 54947420) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is [1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methanol
PubChem CID54947420
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methanol
SMILESO=S(=O)(CC1CCCCC1)N1CCCCC1CO
InChIInChI=1S/C13H25NO3S/c15-10-13-8-4-5-9-14(13)18(16,17)11-12-6-2-1-3-7-12/h12-13,15H,1-11H2
InChIKeyYVQSBUBDTUSITO-UHFFFAOYSA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol
CID 169447956
1-(4-Methyl-1-methylsulfonylpiperidin-2-yl)ethanol
CID 132307824
[1-(3-Fluoropropylsulfonyl)-3-methylpiperidin-2-yl]methanol
CID 109875211
(1-Ethylsulfonylpiperidin-2-yl)methanol
CID 43574451
1-(Cyclohexylmethylsulfonyl)piperidin-3-ol
CID 54947418
(3R)-1-[(4-methylcyclohexyl)methylsulfonyl]piperidin-3-ol
CID 117884486
6-(4-Methylpiperidin-1-yl)sulfonylhexan-1-ol
CID 155458511
[(2R)-1-ethylsulfonylpiperidin-2-yl]methanol
CID 39241679
(1-Propylsulfonylpiperidin-2-yl)methanol
CID 43574448
(1-Butylsulfonylpiperidin-2-yl)methanol
CID 43574450
[1-(Cyclohexylmethylsulfonyl)piperidin-3-yl]methanol
CID 54947471
[1-(Cyclohexylmethylsulfonyl)piperidin-4-yl]methanol
CID 54947524

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methanol (CID 54947420) is [1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methanol is O=S(=O)(CC1CCCCC1)N1CCCCC1CO.
What is the InChIKey of [1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methanol?
The InChIKey is YVQSBUBDTUSITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c15-10-13-8-4-5-9-14(13)18(16,17)11-12-6-2-1-3-7-12/h12-13,15H,1-11H2.
What are the key properties of [1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methanol?
[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methanol has a molecular weight of 275.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methanol is sourced from PubChem (CID 54947420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).