1-Piperazineacetamide, 4-methyl-N-(1-(phenylmethyl)cyclopentyl)-, hydrochloride, hydrate(2:4:1)
Basic information
- CAS
40399-93-7- Standard SMILES
CC1CN(C2(Cc3ccccc3)CCCC2)CCN1CC(N)=O.Cl.Cl- InChIKey
JWWPUZBUNBWNJQ-UHFFFAOYSA-N- Molecular formula
- C19H31Cl2N3O
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 387.184418
Names & identifiers
- Preferred name
- 1-Piperazineacetamide, 4-methyl-N-(1-(phenylmethyl)cyclopentyl)-, hydrochloride, hydrate(2:4:1)
- IUPAC
- 2-[4-(1-benzylcyclopentyl)-2-methylpiperazin-1-yl]acetamide;dihydrochloride
Names & synonyms
40399-93-7N-(1-Benzylcyclopentyl)-4-methylpiperazinoacetamide dihydrochloride hemihydrate4-Methyl-N-(1-(phenylmethyl)cyclopentyl)-1-piperazineacetamide hydrochloride H2O (2:4:1)1-Piperazineacetamide, 4-methyl-N-(1-(phenylmethyl)cyclopentyl)-, hydrochloride, hydrate(2:4:1)RefChem:233335DTXSID80960799[4-(1-Benzylcyclopentyl)-2-methylpiperazin-1-yl]ethanimidic acid--hydrogen chloride (1/2)2-[4-(1-Benzylcyclopentyl)-2-methylpiperazin-1-yl]ethanimidic acid--hydrogen chloride (1/2)
Database identifiers
- CAS
40399-93-7- PubChem CID
- 218217
- DTXSID
DTXSID80960799
Properties
Computed structural properties
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 399
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Related reactions
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Compound notes
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