1-Piperazinepropanol, 4-methyl-alpha-phenyl-, acetate (ester)
Basic information
- CAS
149848-01-1- Standard SMILES
CC(=O)OC(CCN1CCN(C)CC1)c1ccccc1- InChIKey
KGFVOHMUWZMMGX-UHFFFAOYSA-N- Molecular formula
- C16H24N2O2
- Average molar mass
- 276.37 g/mol
- Monoisotopic mass
- 276.18377801
Names & identifiers
- Preferred name
- 1-Piperazinepropanol, 4-methyl-alpha-phenyl-, acetate (ester)
- IUPAC
- [3-(4-methylpiperazin-1-yl)-1-phenylpropyl] acetate
Names & synonyms
149848-01-11-Piperazinepropanol, 4-methyl-alpha-phenyl-, acetate (ester)RefChem:10566801-Methyl-4-(3'-phenyl-3'-acetoxypropyl)piperazine4-Methyl-alpha-phenyl-1-piperazinepropanol acetate (ester)3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYLPROPYL ACETATEDTXSID70933770
Database identifiers
- CAS
149848-01-1- PubChem CID
- 3073532
- DTXSID
DTXSID70933770- Nikkaji
- J534.841B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 295
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Compound notes
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