4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine

C19H20F3NO2S — CID 3855275

IUPAC4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H20F3NO2S/c20-19(21,22)17-6-8-18(9-7-17)26(24,25)23-12-10-16(11-13-23)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2
InChIKeyFRIKLAIEMJMFBV-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.35
Rot. Bonds4

About 4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine

4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine (PubChem CID 3855275) has the molecular formula C19H20F3NO2S and a molecular weight of 383.44 g/mol. Its IUPAC name is 4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
PubChem CID3855275
Molecular FormulaC19H20F3NO2S
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC Name4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H20F3NO2S/c20-19(21,22)17-6-8-18(9-7-17)26(24,25)23-12-10-16(11-13-23)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2
InChIKeyFRIKLAIEMJMFBV-UHFFFAOYSA-N
XLogP4.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119978068
4-(4-benzylpiperidin-1-yl)sulfonyl-N-butylaniline
CID 110826779
1-(cyclopropylmethyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 87024873
4-(pyrazol-1-ylmethyl)-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 71781207
5-(4-benzylpiperidin-1-yl)sulfonyl-2-chloroaniline
CID 23120376
4-(4-benzylpiperidin-1-yl)sulfonyl-N-hexylaniline
CID 110826840
4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine
CID 1129609
4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine
CID 7938048
4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 651778
1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidine-3-carboxylic acid
CID 63030803
N-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]butanamide
CID 57390847
5-(4-benzylpiperidin-1-yl)sulfonyl-N,N-dimethylpyridin-1-ium-2-amine
CID 2453950

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine?
The IUPAC name of 4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine (CID 3855275) is 4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine is O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine?
The InChIKey is FRIKLAIEMJMFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2S/c20-19(21,22)17-6-8-18(9-7-17)26(24,25)23-12-10-16(11-13-23)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2.
What are the key properties of 4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine?
4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine has a molecular weight of 383.44 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 3855275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).