piperidin-3-amine

• ChemBase ID: 812312
• Molecular Formular: C5H12N2
• Molecular Mass: 100.16218
• Monoisotopic Mass: 100.10004839
• SMILES: C1CCNCC1N
• Canonical SMILES: NC1CCCNC1
• InChI: InChI=1S/C5H12N2/c6-5-2-1-3-7-4-5/h5,7H,1-4,6H2
• InChIKey: PEUGKEHLRUVPAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-3-amine
• IUPAC Traditional name: piperidin-3-amine
• Synonyms: 3-AMINOPIPERIDINE

Database IDs

• CAS Number: 54012-73-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.5423007
• LogD (pH = 7.4): -3.3890278
• Log P: -0.5242977
• Molar Refractivity: 29.8544 cm^3
• Polarizability: 12.272833 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%