N,N-dimethyl-3-(piperazin-1-yl)propanamide dihydrochloride

• ChemBase ID: 122832
• Molecular Formular: C9H21Cl2N3O
• Molecular Mass: 258.18854
• Monoisotopic Mass: 257.10616767
• SMILES: C(=O)(CCN1CCNCC1)N(C)C.Cl.Cl
• Canonical SMILES: CN(C(=O)CCN1CCNCC1)C.Cl.Cl
• InChI: InChI=1S/C9H19N3O.2ClH/c1-11(2)9(13)3-6-12-7-4-10-5-8-12;;/h10H,3-8H2,1-2H3;2*1H
• InChIKey: VDLCRZYXWIEQJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-(piperazin-1-yl)propanamide dihydrochloride
• IUPAC Traditional name: N,N-dimethyl-3-(piperazin-1-yl)propanamide dihydrochloride
• Synonyms: N,N-dimethyl-3-(piperazin-1-yl)propanamide dihydrochloride

Database IDs

• PubChem SID: 162217185
• PubChem CID: 45369515

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.3067427
• LogD (pH = 7.4): -2.9504256
• Log P: -0.99035335
• Molar Refractivity: 53.1431 cm^3
• Polarizability: 20.839008 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl