1-{bicyclo[2.2.1]hept-5-en-2-ylmethyl}piperazine

• ChemBase ID: 311364
• Molecular Formular: C12H20N2
• Molecular Mass: 192.3006
• Monoisotopic Mass: 192.16264865
• SMILES: C1(C2C=CC(C1)C2)CN1CCNCC1
• Canonical SMILES: N1CCN(CC1)CC1CC2CC1C=C2
• InChI: InChI=1S/C12H20N2/c1-2-11-7-10(1)8-12(11)9-14-5-3-13-4-6-14/h1-2,10-13H,3-9H2
• InChIKey: ZGPRBCDHKVQKSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{bicyclo[2.2.1]hept-5-en-2-ylmethyl}piperazine
• IUPAC Traditional name: 1-{bicyclo[2.2.1]hept-5-en-2-ylmethyl}piperazine
• Synonyms: 1-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)piperazine

Database IDs

• MDL Number: MFCD08753002

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3619397
• LogD (pH = 7.4): -1.5083061
• Log P: 1.0723463
• Molar Refractivity: 60.2991 cm^3
• Polarizability: 23.48313 Å^3
• Polar Surface Area: 15.27 Å^2