1-(2,3-dihydro-1H-inden-5-ylmethyl)piperazine dihydrochloride

• ChemBase ID: 244310
• Molecular Formular: C14H22Cl2N2
• Molecular Mass: 289.24388
• Monoisotopic Mass: 288.11600407
• SMILES: N1(Cc2cc3c(cc2)CCC3)CCNCC1.Cl.Cl
• Canonical SMILES: N1CCN(CC1)Cc1ccc2c(c1)CCC2.Cl.Cl
• InChI: InChI=1S/C14H20N2.2ClH/c1-2-13-5-4-12(10-14(13)3-1)11-16-8-6-15-7-9-16;;/h4-5,10,15H,1-3,6-9,11H2;2*1H
• InChIKey: OMQNWKNIJZKGDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperazine dihydrochloride
• IUPAC Traditional name: 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperazine dihydrochloride
• Synonyms: 1-(2,3-dihydro-1H-inden-5-ylmethyl)piperazine dihydrochloride

Database IDs

• MDL Number: MFCD22628501
• PubChem SID: 164300220
• PubChem CID: 71757476

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8399313
• LogD (pH = 7.4): 0.5051115
• Log P: 2.3863997
• Molar Refractivity: 68.2373 cm^3
• Polarizability: 26.54021 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.888

Product Information

• Purity: 95%