[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol

C13H26N2O3S — CID 43589679

IUPAC[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(CO)C2)C1
InChIInChI=1S/C13H26N2O3S/c1-11-6-12(2)8-15(7-11)19(17,18)14-5-3-4-13(9-14)10-16/h11-13,16H,3-10H2,1-2H3
InChIKeyMCTUSKNUARENBS-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.91
Rot. Bonds3

About [1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol

[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol (PubChem CID 43589679) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is [1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol
PubChem CID43589679
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(CO)C2)C1
InChIInChI=1S/C13H26N2O3S/c1-11-6-12(2)8-15(7-11)19(17,18)14-5-3-4-13(9-14)10-16/h11-13,16H,3-10H2,1-2H3
InChIKeyMCTUSKNUARENBS-UHFFFAOYSA-N
XLogP0.91
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol
CID 62358298
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine
CID 60723835
[1-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylpiperidin-3-yl]methanol
CID 83223644
[1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]piperidin-3-yl]methanol
CID 79935038
1-[3-(bromomethyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 80673941
3-(hydroxymethyl)-N-(3-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106001719
(1-butylsulfonylpiperidin-3-yl)methanol
CID 43589616
1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 43503036
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 107225019
ethyl 1-[3-(hydroxymethyl)piperidin-1-yl]sulfonylpyrrolidine-2-carboxylate
CID 43589603
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane
CID 98757499
3-(2-chloroethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine
CID 63400764

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol (CID 43589679) is [1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol is CC1CC(C)CN(S(=O)(=O)N2CCCC(CO)C2)C1.
What is the InChIKey of [1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is MCTUSKNUARENBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-11-6-12(2)8-15(7-11)19(17,18)14-5-3-4-13(9-14)10-16/h11-13,16H,3-10H2,1-2H3.
What are the key properties of [1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol?
[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol has a molecular weight of 290.43 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 43589679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).