Piperidine, 1,1'-(13-oxido-13-thiabicyclo(8.2.1)tridec-5-ene-2,9-diyl)bis-, dihydrochloride
Basic information
- CAS
174198-19-7- Standard SMILES
Cl.Cl.O=S1C2CCC1C(N1CCCCC1)CC/C=C\CCC2N1CCCCC1- InChIKey
HYIWTGIFVLSJCT-FTUUSTPOSA-N- Molecular formula
- C22H40Cl2N2OS
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 450.2238405
Names & identifiers
- Preferred name
- Piperidine, 1,1'-(13-oxido-13-thiabicyclo(8.2.1)tridec-5-ene-2,9-diyl)bis-, dihydrochloride
- IUPAC
- (5Z)-2,9-di(piperidin-1-yl)-13λ4-thiabicyclo[8.2.1]tridec-5-ene 13-oxide;dihydrochloride
- English name
- 2,9-Dipiperidino-13-thiabicyclo(8.2.1)tridec-5-ene 13-oxide dihydrochl oride
- Molecular weight
- 0
Names & synonyms
174198-19-7Piperidine, 1,1'-(13-oxido-13-thiabicyclo(8.2.1)tridec-5-ene-2,9-diyl)bis-, dihydrochlorideRefChem:10961212,9-Dipiperidino-13-thiabicyclo(8.2.1)tridec-5-ene 13-oxide dihydrochloride1,1'-(13-Oxido-13-thiabicyclo(8.2.1)tridec-5-ene-2,9-diyl)bispiperidine dihydrochloride2,9-Dipiperidino-13-thiabicyclo(8.2.1)tridec-5-ene 13-oxide dihydrochl oride(5Z)-2,9-di(piperidin-1-yl)-13lambda4-thiabicyclo[8.2.1]tridec-5-ene 13-oxide;dihydrochloride
Database identifiers
- CAS
174198-19-7- PubChem CID
- 6449079
Properties
Computed structural properties
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 454
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Compound notes
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