2-(piperidin-1-yl)-2,3-dihydro-1H-indene-2-carbonitrile

• ChemBase ID: 288737
• Molecular Formular: C15H18N2
• Molecular Mass: 226.31682
• Monoisotopic Mass: 226.14699859
• SMILES: N#CC1(N2CCCCC2)Cc2c(cccc2)C1
• Canonical SMILES: N#CC1(Cc2c(C1)cccc2)N1CCCCC1
• InChI: InChI=1S/C15H18N2/c16-12-15(17-8-4-1-5-9-17)10-13-6-2-3-7-14(13)11-15/h2-3,6-7H,1,4-5,8-11H2
• InChIKey: OTEIRZKSCWXGDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)-2,3-dihydro-1H-indene-2-carbonitrile
• IUPAC Traditional name: 2-(piperidin-1-yl)-1,3-dihydroindene-2-carbonitrile
• Synonyms: 2-(Piperidin-1-yl)-2,3-dihydro-1H-indene-2-carbonitrile

Database IDs

• CAS Number: 1157984-70-7
• PubChem SID: 180674268
• PubChem CID: 43809142

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1466613
• LogD (pH = 7.4): 2.8913772
• Log P: 2.917405
• Molar Refractivity: 69.5812 cm^3
• Polarizability: 26.832472 Å^3
• Polar Surface Area: 27.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%