1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazine

• ChemBase ID: 273665
• Molecular Formular: C15H22N2O
• Molecular Mass: 246.34798
• Monoisotopic Mass: 246.17321333
• SMILES: c12c(ccc(c1)OCCN1CCNCC1)CCC2
• Canonical SMILES: N1CCN(CC1)CCOc1ccc2c(c1)CCC2
• InChI: InChI=1S/C15H22N2O/c1-2-13-4-5-15(12-14(13)3-1)18-11-10-17-8-6-16-7-9-17/h4-5,12,16H,1-3,6-11H2
• InChIKey: JFCRYNYBXQAVRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazine
• IUPAC Traditional name: 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazine
• Synonyms: 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazine

Database IDs

• MDL Number: MFCD11592039
• PubChem SID: 164329575
• PubChem CID: 20109597

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.87331885
• LogD (pH = 7.4): 0.45927718
• Log P: 2.3059762
• Molar Refractivity: 74.1769 cm^3
• Polarizability: 29.03203 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.788

Product Information

• Purity: 95%