N-methyl-1-propylpiperidin-4-amine

• ChemBase ID: 261318
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CCC(CC1)NC)CCC
• Canonical SMILES: CCCN1CCC(CC1)NC
• InChI: InChI=1S/C9H20N2/c1-3-6-11-7-4-9(10-2)5-8-11/h9-10H,3-8H2,1-2H3
• InChIKey: SEELONCGWFEVLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-propylpiperidin-4-amine
• IUPAC Traditional name: N-methyl-1-propylpiperidin-4-amine
• Synonyms: N-methyl-1-propylpiperidin-4-amine

Database IDs

• MDL Number: MFCD09045110
• PubChem SID: 164317228
• PubChem CID: 16772785

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.082179
• LogD (pH = 7.4): -3.020463
• Log P: 0.713258
• Molar Refractivity: 49.4171 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 40 - 41°C
• Hydrophobicity(logP): 0.598

Product Information

• Purity: 95%