(3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol

C14H21NO3S — CID 99790197

IUPAC(3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol
SMILESCCS(=O)(=O)c1ccc(N2CC[C@@H](C)[C@H](O)C2)cc1
InChIInChI=1S/C14H21NO3S/c1-3-19(17,18)13-6-4-12(5-7-13)15-9-8-11(2)14(16)10-15/h4-7,11,14,16H,3,8-10H2,1-2H3/t11-,14-/m1/s1
InChIKeyIZRSLZQRORUENT-BXUZGUMPSA-N
MW283.39 g/mol
LogP1.69
Rot. Bonds3

About (3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol

(3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol (PubChem CID 99790197) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is (3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol
PubChem CID99790197
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name(3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol
SMILESCCS(=O)(=O)c1ccc(N2CC[C@@H](C)[C@H](O)C2)cc1
InChIInChI=1S/C14H21NO3S/c1-3-19(17,18)13-6-4-12(5-7-13)15-9-8-11(2)14(16)10-15/h4-7,11,14,16H,3,8-10H2,1-2H3/t11-,14-/m1/s1
InChIKeyIZRSLZQRORUENT-BXUZGUMPSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis[1-(4-ethylsulfonylphenyl)piperidin-4-yl]methanone
CID 174945351
1-[1-(4-ethylsulfonylphenyl)pyrrolidin-3-yl]ethanamine
CID 103976690
[1-(4-ethylsulfonylphenyl)piperidin-3-yl]methanol
CID 61147641
(3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine
CID 102986553
[4-methyl-1-(4-propylsulfonylphenyl)piperidin-3-yl]methanamine
CID 114961731
1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine
CID 62591940
(4aR,8aS)-6-(4-ethylsulfonylphenyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 99858151
3-bromo-1-(4-propylsulfonylphenyl)pyrrolidine
CID 80667428
8-(4-ethylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63762637
4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide
CID 104892809
1-(4-ethylsulfonylphenyl)-2-methylpiperidine-4-carboxylic acid
CID 106742703
methyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate
CID 115538578

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol?
The IUPAC name of (3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol (CID 99790197) is (3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol.
What is the SMILES notation for (3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol?
The canonical SMILES for (3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol is CCS(=O)(=O)c1ccc(N2CC[C@@H](C)[C@H](O)C2)cc1.
What is the InChIKey of (3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol?
The InChIKey is IZRSLZQRORUENT-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-19(17,18)13-6-4-12(5-7-13)15-9-8-11(2)14(16)10-15/h4-7,11,14,16H,3,8-10H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of (3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol?
(3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol has a molecular weight of 283.39 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 99790197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).