[1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol

C17H24F3NO3S — CID 44522123

IUPAC[1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESCCCS(=O)(=O)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H24F3NO3S/c1-2-11-25(23,24)21-9-7-16(13-22,8-10-21)12-14-5-3-4-6-15(14)17(18,19)20/h3-6,22H,2,7-13H2,1H3
InChIKeyWCSODLHQPQAIJK-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.06
Rot. Bonds6

About [1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol

[1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 44522123) has the molecular formula C17H24F3NO3S and a molecular weight of 379.44 g/mol. Its IUPAC name is [1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
PubChem CID44522123
Molecular FormulaC17H24F3NO3S
Molecular Weight379.44 g/mol
Exact Mass379.14
IUPAC Name[1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESCCCS(=O)(=O)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H24F3NO3S/c1-2-11-25(23,24)21-9-7-16(13-22,8-10-21)12-14-5-3-4-6-15(14)17(18,19)20/h3-6,22H,2,7-13H2,1H3
InChIKeyWCSODLHQPQAIJK-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (CID 44522123) is [1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is CCCS(=O)(=O)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of [1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is WCSODLHQPQAIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO3S/c1-2-11-25(23,24)21-9-7-16(13-22,8-10-21)12-14-5-3-4-6-15(14)17(18,19)20/h3-6,22H,2,7-13H2,1H3.
What are the key properties of [1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
[1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 379.44 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 44522123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).