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

• ChemBase ID: 21127
• Molecular Formular: C16H24ClNO
• Molecular Mass: 281.82086
• Monoisotopic Mass: 281.15464207
• SMILES: c12c(ccc(c1)OCCC1NCCCC1)CCC2.Cl
• Canonical SMILES: C1CCC(NC1)CCOc1ccc2c(c1)CCC2.Cl
• InChI: InChI=1S/C16H23NO.ClH/c1-2-10-17-15(6-1)9-11-18-16-8-7-13-4-3-5-14(13)12-16;/h7-8,12,15,17H,1-6,9-11H2;1H
• InChIKey: VLHSPWPLQFDCNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD10687228
• PubChem SID: 160984434
• PubChem CID: 46735748

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.2034149
• LogD (pH = 7.4): 0.79631746
• Log P: 3.4289496
• Molar Refractivity: 74.8044 cm^3
• Polarizability: 29.355082 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false