{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}(2-methoxyethyl)amine dihydrochloride

• ChemBase ID: 15837
• Molecular Formular: C18H30Cl2N2O
• Molecular Mass: 361.3496
• Monoisotopic Mass: 360.17351895
• SMILES: C1(CCN(CC1)C1Cc2c(C1)cccc2)CNCCOC.Cl.Cl
• Canonical SMILES: COCCNCC1CCN(CC1)C1Cc2c(C1)cccc2.Cl.Cl
• InChI: InChI=1S/C18H28N2O.2ClH/c1-21-11-8-19-14-15-6-9-20(10-7-15)18-12-16-4-2-3-5-17(16)13-18;;/h2-5,15,18-19H,6-14H2,1H3;2*1H
• InChIKey: FYCAPNHBPRMIBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}(2-methoxyethyl)amine dihydrochloride
• IUPAC Traditional name: {[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}(2-methoxyethyl)amine dihydrochloride
• Synonyms: N-{[1-(2,3-Dihydro-1H-inden-2-yl)piperidin-4-yl]-methyl}-2-methoxyethanamine dihydrochloride

Database IDs

• MDL Number: MFCD06800575
• PubChem SID: 160979144
• PubChem CID: 45075082

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.2226806
• LogD (pH = 7.4): -2.2904105
• Log P: 2.3603427
• Molar Refractivity: 88.3534 cm^3
• Polarizability: 34.584457 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false