1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol

C16H25NO3S — CID 106837320

IUPAC1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol
SMILESCCCS(=O)(=O)c1ccccc1N1CCC(C(C)O)CC1
InChIInChI=1S/C16H25NO3S/c1-3-12-21(19,20)16-7-5-4-6-15(16)17-10-8-14(9-11-17)13(2)18/h4-7,13-14,18H,3,8-12H2,1-2H3
InChIKeyQVJORTWMCGNOMV-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.47
Rot. Bonds5

About 1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol

1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol (PubChem CID 106837320) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol
PubChem CID106837320
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol
SMILESCCCS(=O)(=O)c1ccccc1N1CCC(C(C)O)CC1
InChIInChI=1S/C16H25NO3S/c1-3-12-21(19,20)16-7-5-4-6-15(16)17-10-8-14(9-11-17)13(2)18/h4-7,13-14,18H,3,8-12H2,1-2H3
InChIKeyQVJORTWMCGNOMV-UHFFFAOYSA-N
XLogP2.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-bromoethyl)-1-(2-propylsulfonylphenyl)piperidine
CID 106838640
1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine
CID 63852987
[4-methyl-1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine
CID 114961634
3-(2-bromoethyl)-1-(2-propylsulfonylphenyl)pyrrolidine
CID 114800733
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 115966620
3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine
CID 62585382
1-(2-chloroethyl)-4-(2-propylsulfonylphenyl)piperazine
CID 63392531
3-(2-chloroethyl)-1-(2-propylsulfonylphenyl)piperidine
CID 63390486
1-[1-(2-ethylsulfonylphenyl)piperidin-4-yl]ethanone
CID 63844803
N-ethyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine
CID 60807769
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 106836517
N-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine
CID 61204074

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol (CID 106837320) is 1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol is CCCS(=O)(=O)c1ccccc1N1CCC(C(C)O)CC1.
What is the InChIKey of 1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol?
The InChIKey is QVJORTWMCGNOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-3-12-21(19,20)16-7-5-4-6-15(16)17-10-8-14(9-11-17)13(2)18/h4-7,13-14,18H,3,8-12H2,1-2H3.
What are the key properties of 1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol?
1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol has a molecular weight of 311.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 106837320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).