4-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine

C17H23F3N2O2S — CID 23605216

IUPAC4-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H23F3N2O2S/c18-17(19,20)14-5-4-6-16(13-14)25(23,24)22-11-7-15(8-12-22)21-9-2-1-3-10-21/h4-6,13,15H,1-3,7-12H2
InChIKeyVBOLYJKZSOTCNB-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.34
Rot. Bonds3

About 4-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine

4-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (PubChem CID 23605216) has the molecular formula C17H23F3N2O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
PubChem CID23605216
Molecular FormulaC17H23F3N2O2S
Molecular Weight376.44 g/mol
Exact Mass376.14
IUPAC Name4-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H23F3N2O2S/c18-17(19,20)14-5-4-6-16(13-14)25(23,24)22-11-7-15(8-12-22)21-9-2-1-3-10-21/h4-6,13,15H,1-3,7-12H2
InChIKeyVBOLYJKZSOTCNB-UHFFFAOYSA-N
XLogP3.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The IUPAC name of 4-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (CID 23605216) is 4-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 4-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The InChIKey is VBOLYJKZSOTCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2S/c18-17(19,20)14-5-4-6-16(13-14)25(23,24)22-11-7-15(8-12-22)21-9-2-1-3-10-21/h4-6,13,15H,1-3,7-12H2.
What are the key properties of 4-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
4-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine has a molecular weight of 376.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 23605216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).