Basic information
- CAS
1353974-53-4- Standard SMILES
CC(=O)N1CCCCC1CN(CCO)C(C)C- InChIKey
SYJMBZSGIUGZJF-UHFFFAOYSA-N- Molecular formula
- C13H26N2O2
- Average molar mass
- 242.36 g/mol
- Monoisotopic mass
- 242.19942808
Names & identifiers
- Preferred name
- 1-(2-(((2-Hydroxyethyl)(isopropyl)amino)methyl)piperidin-1-yl)ethanone
- IUPAC
- 1-[2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
- English name
- 1-(2-{[(2-Hydroxy-ethyl)-isopropyl-aMino]-Methyl}-piperidin-1-yl)-ethanone
- Molecular formula
- C13H26N2O2
- Molecular weight
- 242.36
Names & synonyms
1353974-53-41-(2-(((2-Hydroxyethyl)(isopropyl)amino)methyl)piperidin-1-yl)ethanone1-(2-{[(2-Hydroxy-ethyl)-isopropyl-amino]-methyl}-piperidin-1-yl)-ethanone1-(2-{[(2-hydroxyethyl)(propan-2-yl)amino]methyl}piperidin-1-yl)ethan-1-one1-[2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanoneDTXSID101140177DB-2255071-[2-[[2-hydroxyethyl(isopropyl)amino]methyl]-1-piperidyl]ethanoneEthanone, 1-[2-[[(2-hydroxyethyl)(1-methylethyl)amino]methyl]-1-piperidinyl]-
Database identifiers
- CAS
1353974-53-4- PubChem CID
- 66565477
- DTXSID
DTXSID101140177
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Boiling point
- 391 · 391.0±12.0 °C(Predicted)
- Density
- 1.02 · 1.020±0.06 g/cm3(Predicted)
- pka
- 14.76 · 14.76±0.10(Predicted)
Chemistry & industry
Suppliers1 total
江阴安博生物医药有限公司086-010-62176588 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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