(+-)-trans-3-Methyl-1-((4-methylphenyl)sulfonyl)-4-phenylpiperidine-4-carbonitrile
Basic information
- CAS
25858-24-6- Standard SMILES
Cc1ccc(S(=O)(=O)N2CC[C@@](C#N)(c3ccccc3)[C@@H](C)C2)cc1- InChIKey
XFZXKHZEHPBOOY-PXNSSMCTSA-N- Molecular formula
- C20H22N2O2S
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.14019912
Names & identifiers
- Preferred name
- (+-)-trans-3-Methyl-1-((4-methylphenyl)sulfonyl)-4-phenylpiperidine-4-carbonitrile
- IUPAC
- (3R,4S)-3-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carbonitrile
Names & synonyms
(+-)-trans-3-Methyl-1-((4-methylphenyl)sulfonyl)-4-phenylpiperidine-4-carbonitrile(+-)-TRANS-3-METHYL-1-[(4-METHYLPHENYL)SULFONYL]-4-PHENYLPIPERIDINE-4-CARBONITRILERefChem:390789607-821-94-Piperidinecarbonitrile, 3-methyl-1-((4-methylphenyl)sulfonyl)-4-phenyl-, (3R,4S)-rel-25858-24-6EC 607-821-9DTXSID90180507NS00004556(3R,4S)-3-Methyl-1-(4-methylbenzene-1-sulfonyl)-4-phenylpiperidine-4-carbonitrile
Database identifiers
- CAS
25858-24-6- PubChem CID
- 154266
- DTXSID
DTXSID90180507- EC Number
- 607-821-9
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 603
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationREACH registered substance: (+-)-TRANS-3-METHYL-1-[(4-METHYLPHENYL)SULFONYL]-4-PHENYLPIPERIDINE-4-CARBONITRILE (EC: 607-821-9)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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