1-[(cyclohex-3-en-1-yl)methyl]piperidin-4-amine

• ChemBase ID: 812000
• Molecular Formular: C12H22N2
• Molecular Mass: 194.31648
• Monoisotopic Mass: 194.17829871
• SMILES: NC1CCN(CC1)CC1CC=CCC1
• Canonical SMILES: NC1CCN(CC1)CC1CCC=CC1
• InChI: InChI=1S/C12H22N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-2,11-12H,3-10,13H2
• InChIKey: IFDXHDOCXPKDDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(cyclohex-3-en-1-yl)methyl]piperidin-4-amine
• IUPAC Traditional name: 1-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine
• Synonyms: 1-CYCLOHEX-3-ENYLMETHYL-PIPERIDIN-4-YLAMINE

Database IDs

• CAS Number: 64730-01-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.6987424
• LogD (pH = 7.4): -2.7243228
• Log P: 1.1537088
• Molar Refractivity: 62.2315 cm^3
• Polarizability: 24.223314 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%