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

• ChemBase ID: 248518
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(CCC(CC1)(CN)C)C
• Canonical SMILES: NCC1(C)CCN(CC1)C
• InChI: InChI=1S/C8H18N2/c1-8(7-9)3-5-10(2)6-4-8/h3-7,9H2,1-2H3
• InChIKey: KLICKMOJMSMPFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19215806
• PubChem SID: 164304428
• PubChem CID: 20759990

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.185557
• LogD (pH = 7.4): -4.3718348
• Log P: 0.23994885
• Molar Refractivity: 44.586 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): 0.532

Product Information

• Purity: 95%