(3S)-1-methylpiperidin-3-amine

• ChemBase ID: 795683
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: C1CCN(C[C@H]1N)C
• Canonical SMILES: CN1CCC[C@@H](C1)N
• InChI: InChI=1S/C6H14N2/c1-8-4-2-3-6(7)5-8/h6H,2-5,7H2,1H3/t6-/m0/s1
• InChIKey: QZSACHHNFDNCNB-LURJTMIESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-1-methylpiperidin-3-amine
• IUPAC Traditional name: (3S)-1-methylpiperidin-3-amine
• Synonyms: (S)-1-Methylpiperidin-3-aMine

Database IDs

• CAS Number: 902152-76-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.8835373
• LogD (pH = 7.4): -2.6663918
• Log P: -0.1412498
• Molar Refractivity: 35.1491 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%