4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]piperidine hydrochloride

• ChemBase ID: 15361
• Molecular Formular: C15H22ClNO
• Molecular Mass: 267.79428
• Monoisotopic Mass: 267.13899201
• SMILES: c1c2c(cc(c1)OCC1CCNCC1)CCC2.Cl
• Canonical SMILES: N1CCC(CC1)COc1ccc2c(c1)CCC2.Cl
• InChI: InChI=1S/C15H21NO.ClH/c1-2-13-4-5-15(10-14(13)3-1)17-11-12-6-8-16-9-7-12;/h4-5,10,12,16H,1-3,6-9,11H2;1H
• InChIKey: AAVKFKFLRDJKBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]piperidine hydrochloride
• IUPAC Traditional name: 4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]piperidine hydrochloride
• Synonyms: 4-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]piperidine hydrochloride

Database IDs

• MDL Number: MFCD08445728
• PubChem SID: 160978668
• PubChem CID: 45074927

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.30380183
• LogD (pH = 7.4): 0.15696894
• Log P: 2.927619
• Molar Refractivity: 70.3768 cm^3
• Polarizability: 27.509348 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false