butyl 4-amino-4-methylpiperidine-1-carboxylate

• ChemBase ID: 813360
• Molecular Formular: C11H22N2O2
• Molecular Mass: 214.30458
• Monoisotopic Mass: 214.16812795
• SMILES: C1(CCN(CC1)C(=O)OCCCC)(C)N
• Canonical SMILES: CCCCOC(=O)N1CCC(CC1)(C)N
• InChI: InChI=1S/C11H22N2O2/c1-3-4-9-15-10(14)13-7-5-11(2,12)6-8-13/h3-9,12H2,1-2H3
• InChIKey: JETDPXXDGSMHKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl 4-amino-4-methylpiperidine-1-carboxylate
• IUPAC Traditional name: butyl 4-amino-4-methylpiperidine-1-carboxylate
• Synonyms: 4-AMINO-1-N-BUTOXYCARBONYL-4-METHYL-PIPERIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1722713
• LogD (pH = 7.4): -1.7610676
• Log P: 0.8520084
• Molar Refractivity: 59.7765 cm^3
• Polarizability: 23.692034 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%