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

• ChemBase ID: 274574
• Molecular Formular: C13H28N2
• Molecular Mass: 212.37482
• Monoisotopic Mass: 212.22524891
• SMILES: N1CCC(C(CC(CCC)C)CN)CC1
• Canonical SMILES: NCC(C1CCNCC1)CC(CCC)C
• InChI: InChI=1S/C13H28N2/c1-3-4-11(2)9-13(10-14)12-5-7-15-8-6-12/h11-13,15H,3-10,14H2,1-2H3
• InChIKey: PBDIYGWOEZYYIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18838893
• PubChem SID: 164330484
• PubChem CID: 54593261

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.9798875
• LogD (pH = 7.4): -3.1066902
• Log P: 2.2757816
• Molar Refractivity: 66.9954 cm^3
• Polarizability: 27.04461 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.01

Product Information

• Purity: 95%