(1-methylpiperidin-4-yl)methanamine

• ChemBase ID: 68915
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1(CCC(CC1)CN)C
• Canonical SMILES: NCC1CCN(CC1)C
• InChI: InChI=1S/C7H16N2/c1-9-4-2-7(6-8)3-5-9/h7H,2-6,8H2,1H3
• InChIKey: AGTPSAZJSOQXHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methylpiperidin-4-yl)methanamine
• IUPAC Traditional name: (1-methylpiperidin-4-yl)methanamine
• Synonyms: (1-methylpiperidin-4-yl)methanamine; (1-Methyl piperidin-4-yl)methyl amine; (1-methyl-4-piperidinyl)methanamine; 1-Methyl-piperidin-4-methylamine; (1-Methylpiperidin-4-yl)methylamine; 4-(Aminomethyl)-1-methylpiperidine; 1-(1-methylpiperidin-4-yl)methanamine

Database IDs

• CAS Number: 7149-42-0
• MDL Number: MFCD11035762; MFCD05022430
• PubChem SID: 162034645
• PubChem CID: 81574

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.5555763
• LogD (pH = 7.4): -4.8843756
• Log P: -0.13805199
• Molar Refractivity: 40.1879 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.013

Safety Information

• Storage Warning: Corrosive/Harmful; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%; 98%