N-methylpiperidin-4-amine

• ChemBase ID: 288558
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: CNC1CCNCC1
• Canonical SMILES: CNC1CCNCC1
• InChI: InChI=1S/C6H14N2/c1-7-6-2-4-8-5-3-6/h6-8H,2-5H2,1H3
• InChIKey: FHTGZDVYPCEHFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylpiperidin-4-amine
• IUPAC Traditional name: N-methylpiperidin-4-amine
• Synonyms: N-Methylpiperidin-4-amine; 4-METHYLAMINOPIPERIDINE

Database IDs

• CAS Number: 45584-07-4
• MDL Number: MFCD00078349
• PubChem SID: 180674089
• PubChem CID: 21973737

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.4078984
• LogD (pH = 7.4): -4.4327164
• Log P: -0.5491203
• Molar Refractivity: 34.8498 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%