1-(2-(((2-Aminoethyl)(ethyl)amino)methyl)piperidin-1-yl)ethanone
Basic information
- CAS
1353964-39-2- Standard SMILES
CCN(CCN)CC1CCCCN1C(C)=O- InChIKey
PGVFCKMQKRDSAJ-UHFFFAOYSA-N- Molecular formula
- C12H25N3O
- Average molar mass
- 227.35 g/mol
Names & identifiers
- Preferred name
- 1-(2-(((2-Aminoethyl)(ethyl)amino)methyl)piperidin-1-yl)ethanone
- IUPAC
- 1-[2-[[2-aminoethyl(ethyl)amino]methyl]piperidin-1-yl]ethanone
- English name
- 1-(2-{[(2-AMino-ethyl)-ethyl-aMino]-Methyl}-piperidin-1-yl)-ethanone
- Molecular formula
- C12H25N3O
- Molecular weight
- 227.3464
Names & synonyms
1353964-39-21-(2-(((2-Aminoethyl)(ethyl)amino)methyl)piperidin-1-yl)ethanone1-(2-{[(2-Amino-ethyl)-ethyl-amino]-methyl}-piperidin-1-yl)-ethanoneDB-2255011-[2-[[2-aminoethyl(ethyl)amino]methyl]-1-piperidyl]ethanone1-[2-[[2-aminoethyl(ethyl)amino]methyl]piperidin-1-yl]ethanoneEthanone, 1-[2-[[(2-aminoethyl)ethylamino]methyl]-1-piperidinyl]-
Database identifiers
- CAS
1353964-39-2
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 354.3 · 354.3±12.0 °C(Predicted)
- Density
- 1.002 · 1.002±0.06 g/cm3(Predicted)
- pka
- 9.65 · 9.65±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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