Basic information
- CAS
33421-72-6- Standard SMILES
CN1CCN(CCCOC(=O)C(C)(C)CC(C)(C)C)CC1.Cl- InChIKey
DRKDZPPHKMCZIJ-UHFFFAOYSA-N- Molecular formula
- C17H35ClN2O2
- Average molar mass
- 334.9 g/mol
- Monoisotopic mass
- 334.2387061
Names & identifiers
- Preferred name
- Valeric acid, 2,2,4,4-tetramethyl-, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride
- IUPAC
- 3-(4-methylpiperazin-1-yl)propyl 2,2,4,4-tetramethylpentanoate;hydrochloride
Names & synonyms
Valeric acid, 2,2,4,4-tetramethyl-, 3-(4-methyl-1-piperazinyl)propyl ester, dihydrochloride33421-72-6Pentanoic acid, 2,2,4,4-tetramethyl-, 3-(4-methyl-1-piperazinyl)propyl ester dihydrochlorideDTXSID401870663-(4-Methyl-1-piperazinyl)propyl 2,2,4,4-tetramethylvalerate dihydrochloride2,2,4,4-Tetramethylvaleric acid 3-(4-methyl-1-piperazinyl)propyl ester dihydrochlorideRefChem:388249DTXCID501095573-(4-Methylpiperazin-1-yl)propyl 2,2,4,4-tetramethylpentanoate--hydrogen chloride (1/1)
Database identifiers
- CAS
33421-72-6- PubChem CID
- 214542
- DTXSID
DTXSID40187066
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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