1-{1,1-Dioxido-2-phenyl-4-[phenyl(piperidin-1-yl)methyl]thietan-3-yl}piperidine
Basic information
- CAS
16791-06-3- Standard SMILES
O=S1(=O)C(c2ccccc2)C(N2CCCCC2)C1C(c1ccccc1)N1CCCCC1- InChIKey
KJCFJAOAXVRAHX-UHFFFAOYSA-N- Molecular formula
- C26H34N2O2S
- Average molar mass
- 438.6 g/mol
- Monoisotopic mass
- 438.23409951
Names & identifiers
- Preferred name
- 1-{1,1-Dioxido-2-phenyl-4-[phenyl(piperidin-1-yl)methyl]thietan-3-yl}piperidine
- IUPAC
- 2-phenyl-4-[phenyl(piperidin-1-yl)methyl]-3-piperidin-1-ylthietane 1,1-dioxide
Names & synonyms
16791-06-31-{1,1-dioxido-2-phenyl-4-[phenyl(piperidin-1-yl)methyl]thietan-3-yl}piperidineNSC135370DTXSID30300207NSC-1353702-Phenyl-4-[phenyl(piperidin-1-yl)methyl]-3-(piperidin-1-yl)-1lambda~6~-thietane-1,1-dione
Database identifiers
- CAS
16791-06-3- PubChem CID
- 282188
- DTXSID
DTXSID30300207
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 666
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Compound notes
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