[4-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol

C22H26F3NO3S — CID 23723796

IUPAC[4-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(CO)(CCCc2ccccc2)CC1
InChIInChI=1S/C22H26F3NO3S/c23-22(24,25)19-9-4-10-20(16-19)30(28,29)26-14-12-21(17-27,13-15-26)11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16,27H,5,8,11-15,17H2
InChIKeyFRAFGCMSDRYNSN-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.49
Rot. Bonds7

About [4-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol

[4-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol (PubChem CID 23723796) has the molecular formula C22H26F3NO3S and a molecular weight of 441.52 g/mol. Its IUPAC name is [4-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
PubChem CID23723796
Molecular FormulaC22H26F3NO3S
Molecular Weight441.52 g/mol
Exact Mass441.16
IUPAC Name[4-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(CO)(CCCc2ccccc2)CC1
InChIInChI=1S/C22H26F3NO3S/c23-22(24,25)19-9-4-10-20(16-19)30(28,29)26-14-12-21(17-27,13-15-26)11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16,27H,5,8,11-15,17H2
InChIKeyFRAFGCMSDRYNSN-UHFFFAOYSA-N
XLogP4.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol?
The IUPAC name of [4-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol (CID 23723796) is [4-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for [4-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol?
The canonical SMILES for [4-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(CO)(CCCc2ccccc2)CC1.
What is the InChIKey of [4-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol?
The InChIKey is FRAFGCMSDRYNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3NO3S/c23-22(24,25)19-9-4-10-20(16-19)30(28,29)26-14-12-21(17-27,13-15-26)11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16,27H,5,8,11-15,17H2.
What are the key properties of [4-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol?
[4-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol has a molecular weight of 441.52 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 23723796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).