(1,4-dimethylpiperidin-2-yl)methanamine

• ChemBase ID: 235424
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(C(CC(CC1)C)CN)C
• Canonical SMILES: NCC1CC(C)CCN1C
• InChI: InChI=1S/C8H18N2/c1-7-3-4-10(2)8(5-7)6-9/h7-8H,3-6,9H2,1-2H3
• InChIKey: SQAOMMIAXLVXMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,4-dimethylpiperidin-2-yl)methanamine
• IUPAC Traditional name: (1,4-dimethylpiperidin-2-yl)methanamine
• Synonyms: (1,4-dimethylpiperidin-2-yl)methanamine

Database IDs

• MDL Number: MFCD18897709
• PubChem SID: 164291334
• PubChem CID: 63840501

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.3060975
• LogD (pH = 7.4): -1.9951023
• Log P: 0.59033793
• Molar Refractivity: 44.2987 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.261

Product Information

• Purity: 95%