3-(4-methylpiperidin-1-yl)propanehydrazide

• ChemBase ID: 24353
• Molecular Formular: C9H19N3O
• Molecular Mass: 185.26666
• Monoisotopic Mass: 185.15281224
• SMILES: N1(CCC(=O)NN)CCC(CC1)C
• Canonical SMILES: NNC(=O)CCN1CCC(CC1)C
• InChI: InChI=1S/C9H19N3O/c1-8-2-5-12(6-3-8)7-4-9(13)11-10/h8H,2-7,10H2,1H3,(H,11,13)
• InChIKey: OAVRRDMTPUMOED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methylpiperidin-1-yl)propanehydrazide
• IUPAC Traditional name: 3-(4-methylpiperidin-1-yl)propanehydrazide
• Synonyms: 3-(4-Methyl-1-piperidinyl)propanohydrazide; 3-(4-Methyl-piperidin-1-yl)-propionic acid hydrazide

Database IDs

• MDL Number: MFCD01162540
• PubChem SID: 160987660
• PubChem CID: 774285

CALCULATED PROPERTIES

• Acid pKa: 13.353984
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4823966
• LogD (pH = 7.4): -2.3276265
• Log P: -0.060867567
• Molar Refractivity: 53.769 cm^3
• Polarizability: 20.739687 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.532

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%