2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol

C15H23NO3S — CID 116685768

IUPAC2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol
SMILESCC1CCNC(CC(O)c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C15H23NO3S/c1-11-7-8-16-13(9-11)10-15(17)12-3-5-14(6-4-12)20(2,18)19/h3-6,11,13,15-17H,7-10H2,1-2H3
InChIKeyNPCJYQOQEQLKMW-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.90
Rot. Bonds4

About 2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol

2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol (PubChem CID 116685768) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol
PubChem CID116685768
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol
SMILESCC1CCNC(CC(O)c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C15H23NO3S/c1-11-7-8-16-13(9-11)10-15(17)12-3-5-14(6-4-12)20(2,18)19/h3-6,11,13,15-17H,7-10H2,1-2H3
InChIKeyNPCJYQOQEQLKMW-UHFFFAOYSA-N
XLogP1.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol
CID 81465901
1-(3,5-dimethylphenyl)-2-(4-methylpiperidin-2-yl)ethanol
CID 116685638
1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol
CID 116685626
1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol
CID 116685633
2-[(3-methylcyclohexyl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 60899511
2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 116685769
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385
cyclopentyl-(4-methylsulfonylphenyl)methanol
CID 115840633
2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 111382017
2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 62414957
1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol
CID 84674533
1-(4-methylsulfonylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82265087

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol (CID 116685768) is 2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol is CC1CCNC(CC(O)c2ccc(S(C)(=O)=O)cc2)C1.
What is the InChIKey of 2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol?
The InChIKey is NPCJYQOQEQLKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11-7-8-16-13(9-11)10-15(17)12-3-5-14(6-4-12)20(2,18)19/h3-6,11,13,15-17H,7-10H2,1-2H3.
What are the key properties of 2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol?
2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol has a molecular weight of 297.42 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 116685768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).