Basic information
- CAS
65210-34-6- Standard SMILES
CC1(CC[NH+]2CCCCC2)Oc2ccc(C[NH+]3CCCCC3)cc2O1.[Cl-].[Cl-]- InChIKey
MPWWFXDLVRUNNT-UHFFFAOYSA-N- Molecular formula
- C21H34Cl2N2O2
- Average molar mass
- 417.4 g/mol
- Monoisotopic mass
- 416.1997337
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 2-methyl-2-(2-piperidinoethyl)-5-(piperidinomethyl)-, dihydrochloride, hemihydrate
- IUPAC
- 1-[[2-methyl-2-(2-piperidin-1-ium-1-ylethyl)-1,3-benzodioxol-5-yl]methyl]piperidin-1-ium dichloride
Names & synonyms
65210-34-61,3-Benzodioxole, 2-methyl-2-(2-piperidinoethyl)-5-(piperidinomethyl)-, dihydrochloride, hemihydrateRefChem:217861
Database identifiers
- CAS
65210-34-6- PubChem CID
- 47545
Properties
Computed structural properties
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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