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

• ChemBase ID: 247469
• Molecular Formular: C13H18N2
• Molecular Mass: 202.29542
• Monoisotopic Mass: 202.14699859
• SMILES: N1(c2cc3c(cc2)CCC3)CCNCC1
• Canonical SMILES: N1CCN(CC1)c1ccc2c(c1)CCC2
• InChI: InChI=1S/C13H18N2/c1-2-11-4-5-13(10-12(11)3-1)15-8-6-14-7-9-15/h4-5,10,14H,1-3,6-9H2
• InChIKey: VXPXJJPLCBBUBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09027466
• PubChem SID: 164303379
• PubChem CID: 60860616

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.45937687
• LogD (pH = 7.4): 1.0486825
• Log P: 2.553047
• Molar Refractivity: 64.1232 cm^3
• Polarizability: 24.294674 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.597

Product Information

• Purity: 95%