4-methyl-2-(piperidin-4-yl)hexan-1-amine

• ChemBase ID: 274557
• Molecular Formular: C12H26N2
• Molecular Mass: 198.34824
• Monoisotopic Mass: 198.20959884
• SMILES: N1CCC(C(CC(CC)C)CN)CC1
• Canonical SMILES: NCC(C1CCNCC1)CC(CC)C
• InChI: InChI=1S/C12H26N2/c1-3-10(2)8-12(9-13)11-4-6-14-7-5-11/h10-12,14H,3-9,13H2,1-2H3
• InChIKey: RRRJIYJXHPPGGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(piperidin-4-yl)hexan-1-amine
• IUPAC Traditional name: 4-methyl-2-(piperidin-4-yl)hexan-1-amine
• Synonyms: 4-methyl-2-(piperidin-4-yl)hexan-1-amine

Database IDs

• MDL Number: MFCD18838880
• PubChem SID: 164330467
• PubChem CID: 54593246

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.424456
• LogD (pH = 7.4): -3.551259
• Log P: 1.8312129
• Molar Refractivity: 62.3944 cm^3
• Polarizability: 25.197851 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.481

Product Information

• Purity: 95%