1-(2,2-dimethylpropyl)piperidin-4-amine

• ChemBase ID: 308408
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: N1(CC(C)(C)C)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)CC(C)(C)C
• InChI: InChI=1S/C10H22N2/c1-10(2,3)8-12-6-4-9(11)5-7-12/h9H,4-8,11H2,1-3H3
• InChIKey: BJOFVKOYOSXKPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2-dimethylpropyl)piperidin-4-amine
• IUPAC Traditional name: 1-(2,2-dimethylpropyl)piperidin-4-amine
• Synonyms: 1-NEOPENTYLPIPERIDIN-4-AMINE; 1-(2,2-dimethylpropyl)-4-piperidinamine

Database IDs

• CAS Number: 1014695-10-3
• MDL Number: MFCD10000836

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.5638943
• LogD (pH = 7.4): -2.537491
• Log P: 1.0236512
• Molar Refractivity: 53.5122 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%