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

• ChemBase ID: 274500
• Molecular Formular: C11H24N2
• Molecular Mass: 184.32166
• Monoisotopic Mass: 184.19394878
• SMILES: N1CCC(C(CC(C)C)CN)CC1
• Canonical SMILES: NCC(C1CCNCC1)CC(C)C
• InChI: InChI=1S/C11H24N2/c1-9(2)7-11(8-12)10-3-5-13-6-4-10/h9-11,13H,3-8,12H2,1-2H3
• InChIKey: YHUMDRWCNSAHAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18838845
• PubChem SID: 164330410
• PubChem CID: 54593202

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.8690248
• LogD (pH = 7.4): -3.9958308
• Log P: 1.3866442
• Molar Refractivity: 57.7934 cm^3
• Polarizability: 23.35114 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.952

Product Information

• Purity: 95%