Basic information
- CAS
38160-12-2- Standard SMILES
Cc1ccccc1N1CC(C(=O)N2CCNCC2)CC1=O.Cl- InChIKey
CITUHXCXEGYQJP-UHFFFAOYSA-N- Molecular formula
- C16H22ClN3O2
- Average molar mass
- 323.82 g/mol
- Monoisotopic mass
- 323.1400546
Names & identifiers
- Preferred name
- 1-(2-Methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one--hydrogen chloride (1/1)
- IUPAC
- 1-(2-methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
- English name
- Piperazine, 1-((1-(2-methylphenyl)-5-oxo-3-pyrrolidinyl)carbonyl)-, hy drochloride, hydrate (1:1:1)
- Molecular formula
- C16H21N3O2.ClH.H2O
- Molecular weight
- 341.837
Names & synonyms
38160-12-2DTXSID109590951-(2-Methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one--hydrogen chloride (1/1)RefChem:1054024DTXCID601386984o-Tolyl-1 oxo-2 piperazinocarbonyl-4 pyrrolidine chlorhydrate hydrate [French]Piperazine, 1-((1-(2-methylphenyl)-5-oxo-3-pyrrolidinyl)carbonyl)-, hydrochloride, hydrate (1:1:1)o-Tolyl-1 oxo-2 piperazinocarbonyl-4 pyrrolidine chlorhydrate hydratePiperazine, 1-((1-(2-methylphenyl)-5-oxo-3-pyrrolidinyl)carbonyl)-, hy drochloride, hydrate (1:1:1)
Database identifiers
- CAS
38160-12-2- PubChem CID
- 217136
- DTXSID
DTXSID10959095
Properties
Computed structural properties
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 406
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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