3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-3-(3-piperidinopropyl)-, trihydrochloride
Basic information
- CAS
101607-38-9- Standard SMILES
CN1C2CCCC1CN(CCCN1CCCCC1)C2.Cl.Cl.Cl- InChIKey
GXOQUHHRHXVPGU-UHFFFAOYSA-N- Molecular formula
- C16H34Cl3N3
- Average molar mass
- 374.8 g/mol
- Monoisotopic mass
- 373.181831
Names & identifiers
- Preferred name
- 3,9-Diazabicyclo(3.3.1)nonane, 9-methyl-3-(3-piperidinopropyl)-, trihydrochloride
- IUPAC
- 9-methyl-3-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane;trihydrochloride
Names & synonyms
101607-38-93,9-Diazabicyclo(3.3.1)nonane, 9-methyl-3-(3-piperidinopropyl)-, trihydrochloride9-Methyl-3-(3-piperidinopropyl)-3,9-diazabicyclo(3.3.1)nonane trihydrochloride3-(gamma-Piperidinopropyl)-9-methyl-3,9-diazabicyclo(3,2,1)nonane trihydrochlorideRefChem:272793DTXSID809063949-Methyl-3-[3-(piperidin-1-yl)propyl]-3,9-diazabicyclo[3.3.1]nonane--hydrogen chloride (1/3)
Database identifiers
- CAS
101607-38-9- PubChem CID
- 58568
- DTXSID
DTXSID80906394
Properties
Computed structural properties
- Topological polar surface area
- 9.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 261
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Compound notes
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