1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol

C14H21NO3S — CID 114680539

IUPAC1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol
SMILESCCc1ccc(S(=O)(=O)N2CCC(O)C(C)C2)cc1
InChIInChI=1S/C14H21NO3S/c1-3-12-4-6-13(7-5-12)19(17,18)15-9-8-14(16)11(2)10-15/h4-7,11,14,16H,3,8-10H2,1-2H3
InChIKeyYIIOXVPDPSYHPO-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.64
Rot. Bonds3

About 1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol

1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol (PubChem CID 114680539) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol
PubChem CID114680539
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol
SMILESCCc1ccc(S(=O)(=O)N2CCC(O)C(C)C2)cc1
InChIInChI=1S/C14H21NO3S/c1-3-12-4-6-13(7-5-12)19(17,18)15-9-8-14(16)11(2)10-15/h4-7,11,14,16H,3,8-10H2,1-2H3
InChIKeyYIIOXVPDPSYHPO-UHFFFAOYSA-N
XLogP1.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol
CID 114679139
[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030896
1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol
CID 102956939
(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993597
1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol
CID 114679042
1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
CID 114678175
1-(4-ethylphenyl)sulfonyl-3-methylpiperazine
CID 65449390
1-[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583154
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959888
1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 106546810

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol?
The IUPAC name of 1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol (CID 114680539) is 1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol is CCc1ccc(S(=O)(=O)N2CCC(O)C(C)C2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol?
The InChIKey is YIIOXVPDPSYHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-12-4-6-13(7-5-12)19(17,18)15-9-8-14(16)11(2)10-15/h4-7,11,14,16H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol?
1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol has a molecular weight of 283.39 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol is sourced from PubChem (CID 114680539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).