1-benzyl-decahydro-1,6-naphthyridine

• ChemBase ID: 239430
• Molecular Formular: C15H22N2
• Molecular Mass: 230.34858
• Monoisotopic Mass: 230.17829871
• SMILES: N1(C2C(CNCC2)CCC1)Cc1ccccc1
• Canonical SMILES: C1NCC2C(C1)N(CCC2)Cc1ccccc1
• InChI: InChI=1S/C15H22N2/c1-2-5-13(6-3-1)12-17-10-4-7-14-11-16-9-8-15(14)17/h1-3,5-6,14-16H,4,7-12H2
• InChIKey: TZOUPQXQHUBGOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-decahydro-1,6-naphthyridine
• IUPAC Traditional name: 1-benzyl-octahydro-2H-1,6-naphthyridine
• Synonyms: 1-benzyl-decahydro-1,6-naphthyridine

Database IDs

• MDL Number: MFCD22378741
• PubChem SID: 164295340
• PubChem CID: 71756410

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5672696
• LogD (pH = 7.4): -0.87962013
• Log P: 2.0087602
• Molar Refractivity: 72.0429 cm^3
• Polarizability: 28.55103 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.557

Product Information

• Purity: 95%