(3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol

C20H23NO3S — CID 177395494

IUPAC(3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol
SMILESC=C(c1ccccc1)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)CC[C@H]1O
InChIInChI=1S/C20H23NO3S/c1-15-8-10-18(11-9-15)25(23,24)21-13-12-20(22)19(14-21)16(2)17-6-4-3-5-7-17/h3-11,19-20,22H,2,12-14H2,1H3/t19-,20+/m0/s1
InChIKeyTXPYQTZHUIUNRH-VQTJNVASSA-N
MW357.48 g/mol
LogP3.08
Rot. Bonds4

About (3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol

(3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol (PubChem CID 177395494) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is (3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol
PubChem CID177395494
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name(3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol
SMILESC=C(c1ccccc1)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)CC[C@H]1O
InChIInChI=1S/C20H23NO3S/c1-15-8-10-18(11-9-15)25(23,24)21-13-12-20(22)19(14-21)16(2)17-6-4-3-5-7-17/h3-11,19-20,22H,2,12-14H2,1H3/t19-,20+/m0/s1
InChIKeyTXPYQTZHUIUNRH-VQTJNVASSA-N
XLogP3.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)-3,4-dihydro-2H-quinolin-4-ol
CID 122202753
(3R)-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpyrrolidine
CID 134851908
(3S,4R)-3-(2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 139089883
(2R,5S)-2-methyl-1-(4-methylphenyl)sulfonyl-5-(1-phenylethenyl)pyrrolidine
CID 100958577
(3S,4S)-4-hydroxy-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 135105405
(3S,4R)-3-(2-chloropropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 102179755
(3R,4R)-3-(1-cyclohexylethenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbaldehyde
CID 102109588
3-chloro-1-(4-methylphenyl)sulfonylpyrrolidine
CID 63400608
(3R,4R)-4-(1-bromoethenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 11336921
(3S,4R)-4-hydroxy-1-(4-methylsulfanylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 135096916
N-[(3S,4R)-3-[1-(3-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-methylpropane-2-sulfinamide
CID 101232768
(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol?
The IUPAC name of (3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol (CID 177395494) is (3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol is C=C(c1ccccc1)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)CC[C@H]1O.
What is the InChIKey of (3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol?
The InChIKey is TXPYQTZHUIUNRH-VQTJNVASSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-15-8-10-18(11-9-15)25(23,24)21-13-12-20(22)19(14-21)16(2)17-6-4-3-5-7-17/h3-11,19-20,22H,2,12-14H2,1H3/t19-,20+/m0/s1.
What are the key properties of (3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol?
(3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol has a molecular weight of 357.48 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol is sourced from PubChem (CID 177395494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).