3-fluoro-3-methyl-1-methylsulfonyl-5,5-diphenylpiperidine

C19H22FNO2S — CID 122380274

IUPAC3-fluoro-3-methyl-1-methylsulfonyl-5,5-diphenylpiperidine
SMILESCC1(F)CN(S(C)(=O)=O)CC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C19H22FNO2S/c1-18(20)13-19(16-9-5-3-6-10-16,17-11-7-4-8-12-17)15-21(14-18)24(2,22)23/h3-12H,13-15H2,1-2H3
InChIKeySHEKMXUAOAWRJA-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.37
Rot. Bonds3

About 3-fluoro-3-methyl-1-methylsulfonyl-5,5-diphenylpiperidine

3-fluoro-3-methyl-1-methylsulfonyl-5,5-diphenylpiperidine (PubChem CID 122380274) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-methylsulfonyl-5,5-diphenylpiperidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-methylsulfonyl-5,5-diphenylpiperidine
PubChem CID122380274
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC Name3-fluoro-3-methyl-1-methylsulfonyl-5,5-diphenylpiperidine
SMILESCC1(F)CN(S(C)(=O)=O)CC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C19H22FNO2S/c1-18(20)13-19(16-9-5-3-6-10-16,17-11-7-4-8-12-17)15-21(14-18)24(2,22)23/h3-12H,13-15H2,1-2H3
InChIKeySHEKMXUAOAWRJA-UHFFFAOYSA-N
XLogP3.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Benzyl-1-(3-iodobenzylsulfonyl)piperidine
CID 71699218
4-Benzyl-1-(benzylsulfonyl)piperidine
CID 669284
4-Benzyl-1-(2-phenylethenesulfonyl)piperidine
CID 2475510
2-Benzhydryl-9-methylsulfonyl-2,9-diazaspiro[5.5]undecane
CID 3234963
2-Benzhydryl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane
CID 3235455
4-Benzyl-1-[(3-methylphenyl)methylsulfonyl]piperidine
CID 71699219
4-Benzyl-1-(2-phenylethylsulfonyl)piperidine
CID 71699220
1-(Benzenesulfonyl)-4-phenylpiperidine
CID 4602720
1'-((4-Fluorophenyl)sulfonyl)spiro(1H-indene-1,4'-piperidine)
CID 9997556
1-Benzhydryl-4-methylsulfonylpiperazine
CID 774082
9-Benzhydryl-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane
CID 3233833
(5S)-2-benzhydryl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
CID 3234248

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-methylsulfonyl-5,5-diphenylpiperidine?
The IUPAC name of 3-fluoro-3-methyl-1-methylsulfonyl-5,5-diphenylpiperidine (CID 122380274) is 3-fluoro-3-methyl-1-methylsulfonyl-5,5-diphenylpiperidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-methylsulfonyl-5,5-diphenylpiperidine?
The canonical SMILES for 3-fluoro-3-methyl-1-methylsulfonyl-5,5-diphenylpiperidine is CC1(F)CN(S(C)(=O)=O)CC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-methylsulfonyl-5,5-diphenylpiperidine?
The InChIKey is SHEKMXUAOAWRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-18(20)13-19(16-9-5-3-6-10-16,17-11-7-4-8-12-17)15-21(14-18)24(2,22)23/h3-12H,13-15H2,1-2H3.
What are the key properties of 3-fluoro-3-methyl-1-methylsulfonyl-5,5-diphenylpiperidine?
3-fluoro-3-methyl-1-methylsulfonyl-5,5-diphenylpiperidine has a molecular weight of 347.46 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-methylsulfonyl-5,5-diphenylpiperidine is sourced from PubChem (CID 122380274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).