1-tert-butylpiperidin-4-amine

• ChemBase ID: 261112
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(C(C)(C)C)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)C(C)(C)C
• InChI: InChI=1S/C9H20N2/c1-9(2,3)11-6-4-8(10)5-7-11/h8H,4-7,10H2,1-3H3
• InChIKey: SNZAIGXZGPEBGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-tert-butylpiperidin-4-amine
• IUPAC Traditional name: 1-tert-butylpiperidin-4-amine
• Synonyms: 1-tert-butylpiperidin-4-amine

Database IDs

• MDL Number: MFCD08448170
• PubChem SID: 164317022
• PubChem CID: 17750401

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.2640104
• LogD (pH = 7.4): -3.2688546
• Log P: 0.45530692
• Molar Refractivity: 49.1755 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.631

Product Information

• Purity: 95%