1-(1-methylpiperidin-4-yl)ethan-1-amine

• ChemBase ID: 267058
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(CCC(CC1)C(N)C)C
• Canonical SMILES: CN1CCC(CC1)C(N)C
• InChI: InChI=1S/C8H18N2/c1-7(9)8-3-5-10(2)6-4-8/h7-8H,3-6,9H2,1-2H3
• InChIKey: YYBLKINSGHLYAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-methylpiperidin-4-yl)ethan-1-amine
• IUPAC Traditional name: 1-(1-methylpiperidin-4-yl)ethanamine
• Synonyms: 1-(1-methylpiperidin-4-yl)ethan-1-amine; 1-(1-methylpiperidin-4-yl)ethanamine

Database IDs

• CAS Number: 1095499-33-4
• MDL Number: MFCD09864381
• PubChem SID: 164322968
• PubChem CID: 21057734

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.118419
• LogD (pH = 7.4): -4.5016966
• Log P: 0.27852303
• Molar Refractivity: 44.6067 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): 0.152

Product Information

• Purity: 95%