4-(3,5-dimethylpiperidin-1-yl)butan-1-amine

• ChemBase ID: 258430
• Molecular Formular: C11H24N2
• Molecular Mass: 184.32166
• Monoisotopic Mass: 184.19394878
• SMILES: N1(CC(CC(C1)C)C)CCCCN
• Canonical SMILES: NCCCCN1CC(C)CC(C1)C
• InChI: InChI=1S/C11H24N2/c1-10-7-11(2)9-13(8-10)6-4-3-5-12/h10-11H,3-9,12H2,1-2H3
• InChIKey: LPCNLOZVHDWVKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,5-dimethylpiperidin-1-yl)butan-1-amine
• IUPAC Traditional name: 4-(3,5-dimethylpiperidin-1-yl)butan-1-amine
• Synonyms: 4-(3,5-dimethylpiperidin-1-yl)butan-1-amine

Database IDs

• MDL Number: MFCD09807265
• PubChem SID: 164314340
• PubChem CID: 20119834

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.934689
• LogD (pH = 7.4): -3.7251472
• Log P: 1.5508199
• Molar Refractivity: 58.5331 cm^3
• Polarizability: 23.35114 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.949

Product Information

• Purity: 95%