1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol

C16H25NO3S — CID 114594596

IUPAC1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol
SMILESCC1CC(C)C(C)N(S(=O)(=O)c2ccc(C(C)O)cc2)C1
InChIInChI=1S/C16H25NO3S/c1-11-9-12(2)13(3)17(10-11)21(19,20)16-7-5-15(6-8-16)14(4)18/h5-8,11-14,18H,9-10H2,1-4H3
InChIKeyYKKAIJIXAJBSCJ-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.80
Rot. Bonds3

About 1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol

1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol (PubChem CID 114594596) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol.

Molecular Properties

Compound Name1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol
PubChem CID114594596
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol
SMILESCC1CC(C)C(C)N(S(=O)(=O)c2ccc(C(C)O)cc2)C1
InChIInChI=1S/C16H25NO3S/c1-11-9-12(2)13(3)17(10-11)21(19,20)16-7-5-15(6-8-16)14(4)18/h5-8,11-14,18H,9-10H2,1-4H3
InChIKeyYKKAIJIXAJBSCJ-UHFFFAOYSA-N
XLogP2.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3,5-trimethylpiperidin-1-yl)sulfonylbenzenecarbothioamide
CID 114593322
[2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 114597642
2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591958
1-(4-bromo-3-methylphenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 114594701
2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591895
1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 107650396
[2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090902
[2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 114592907
5-(2,3,5-trimethylpiperidin-1-yl)sulfonylpyridine-2-carbothioamide
CID 114614762
2,3,5-trimethyl-1-propan-2-ylsulfonylpiperidine
CID 114597504
(1R)-1-[3-nitro-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol
CID 104939745
4-(1-hydroxyethyl)-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62409796

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol?
The IUPAC name of 1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol (CID 114594596) is 1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol.
What is the SMILES notation for 1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol?
The canonical SMILES for 1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol is CC1CC(C)C(C)N(S(=O)(=O)c2ccc(C(C)O)cc2)C1.
What is the InChIKey of 1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol?
The InChIKey is YKKAIJIXAJBSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-11-9-12(2)13(3)17(10-11)21(19,20)16-7-5-15(6-8-16)14(4)18/h5-8,11-14,18H,9-10H2,1-4H3.
What are the key properties of 1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol?
1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol has a molecular weight of 311.45 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]ethanol is sourced from PubChem (CID 114594596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).