2-(1-methylpiperidin-4-yl)ethan-1-amine

• ChemBase ID: 267024
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(CCC(CC1)CCN)C
• Canonical SMILES: NCCC1CCN(CC1)C
• InChI: InChI=1S/C8H18N2/c1-10-6-3-8(2-5-9)4-7-10/h8H,2-7,9H2,1H3
• InChIKey: IKJXAMMGTSTBLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methylpiperidin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(1-methylpiperidin-4-yl)ethanamine
• Synonyms: 2-(1-methylpiperidin-4-yl)ethan-1-amine; 2-(1-Methylpiperidin-4-yl)ethanamine

Database IDs

• CAS Number: 20845-38-9
• MDL Number: MFCD06637474; MFCD09455608
• PubChem SID: 164322934
• PubChem CID: 15046231

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.140802
• LogD (pH = 7.4): -4.328715
• Log P: 0.22856295
• Molar Refractivity: 44.8659 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.542

Product Information

• Purity: 95%; 95+%