2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol

C14H28N2O3S — CID 62358298

IUPAC2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(CCO)C2)C1
InChIInChI=1S/C14H28N2O3S/c1-12-8-13(2)10-16(9-12)20(18,19)15-6-3-4-14(11-15)5-7-17/h12-14,17H,3-11H2,1-2H3
InChIKeyGYPVOXHEGUWUCO-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.30
Rot. Bonds4

About 2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol

2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol (PubChem CID 62358298) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol
PubChem CID62358298
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(CCO)C2)C1
InChIInChI=1S/C14H28N2O3S/c1-12-8-13(2)10-16(9-12)20(18,19)15-6-3-4-14(11-15)5-7-17/h12-14,17H,3-11H2,1-2H3
InChIKeyGYPVOXHEGUWUCO-UHFFFAOYSA-N
XLogP1.30
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol
CID 43589679
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine
CID 60723835
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylpiperidine-3-carboxylic acid
CID 114797288
3-(2-chloroethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine
CID 63400764
3-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-sulfonamide
CID 115969767
2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol
CID 107227327
1-[3-(bromomethyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 80673941
2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol
CID 63290285
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
1-[3-(2-methoxyethyl)piperidin-1-yl]sulfonyl-4-methylpiperazine
CID 131892932
1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 43503036
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 107225019

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol (CID 62358298) is 2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol is CC1CC(C)CN(S(=O)(=O)N2CCCC(CCO)C2)C1.
What is the InChIKey of 2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol?
The InChIKey is GYPVOXHEGUWUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-12-8-13(2)10-16(9-12)20(18,19)15-6-3-4-14(11-15)5-7-17/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol?
2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol has a molecular weight of 304.46 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol is sourced from PubChem (CID 62358298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).