1-[(cyclohex-2-en-1-yl)methyl]piperidin-4-amine

• ChemBase ID: 799338
• Molecular Formular: C12H22N2
• Molecular Mass: 194.31648
• Monoisotopic Mass: 194.17829871
• SMILES: C1(CCN(CC1)CC1C=CCCC1)N
• Canonical SMILES: NC1CCN(CC1)CC1CCCC=C1
• InChI: InChI=1S/C12H22N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h2,4,11-12H,1,3,5-10,13H2
• InChIKey: KDBDWEFSZKKBLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(cyclohex-2-en-1-yl)methyl]piperidin-4-amine
• IUPAC Traditional name: 1-(cyclohex-2-en-1-ylmethyl)piperidin-4-amine
• Synonyms: 1-(cyclohex-2-enylmethyl)piperidin-4-amine

Database IDs

• CAS Number: 1369624-19-0

CALCULATED PROPERTIES

• Polarizability: 24.223314 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.6030436
• LogD (pH = 7.4): -2.5955865
• Log P: 1.1537088
• Molar Refractivity: 62.2315 cm^3

PROPERTIES

Product Information

• Purity: 96%