4,4-dimethyl-2-(piperidin-4-yl)pentan-1-amine

• ChemBase ID: 274561
• Molecular Formular: C12H26N2
• Molecular Mass: 198.34824
• Monoisotopic Mass: 198.20959884
• SMILES: N1CCC(C(CC(C)(C)C)CN)CC1
• Canonical SMILES: NCC(C1CCNCC1)CC(C)(C)C
• InChI: InChI=1S/C12H26N2/c1-12(2,3)8-11(9-13)10-4-6-14-7-5-10/h10-11,14H,4-9,13H2,1-3H3
• InChIKey: MBXQHKGUFWDBCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4-dimethyl-2-(piperidin-4-yl)pentan-1-amine
• IUPAC Traditional name: 4,4-dimethyl-2-(piperidin-4-yl)pentan-1-amine
• Synonyms: 4,4-dimethyl-2-(piperidin-4-yl)pentan-1-amine

Database IDs

• MDL Number: MFCD18838884
• PubChem SID: 164330471
• PubChem CID: 54593250

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.5689716
• LogD (pH = 7.4): -3.6955945
• Log P: 1.6866914
• Molar Refractivity: 62.2685 cm^3
• Polarizability: 25.197851 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.351

Product Information

• Purity: 95%