3-methyl-3-propylpiperidine

• ChemBase ID: 284891
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: N1CC(CCC)(C)CCC1
• Canonical SMILES: CCCC1(C)CCCNC1
• InChI: InChI=1S/C9H19N/c1-3-5-9(2)6-4-7-10-8-9/h10H,3-8H2,1-2H3
• InChIKey: BXAVWTMYJUJAAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-3-propylpiperidine
• IUPAC Traditional name: 3-methyl-3-propylpiperidine
• Synonyms: 3-methyl-3-propylpiperidine

Database IDs

• MDL Number: MFCD19625992
• PubChem SID: 180670422
• PubChem CID: 14993121

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.94258004
• LogD (pH = 7.4): -0.502337
• Log P: 2.2895987
• Molar Refractivity: 44.9071 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.031

Product Information

• Purity: 95%