3-(piperidin-1-yl)propanehydrazide

• ChemBase ID: 24338
• Molecular Formular: C8H17N3O
• Molecular Mass: 171.24008
• Monoisotopic Mass: 171.13716218
• SMILES: C(=O)(CCN1CCCCC1)NN
• Canonical SMILES: NNC(=O)CCN1CCCCC1
• InChI: InChI=1S/C8H17N3O/c9-10-8(12)4-7-11-5-2-1-3-6-11/h1-7,9H2,(H,10,12)
• InChIKey: AWVBNMXEAMVLLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-1-yl)propanehydrazide
• IUPAC Traditional name: 3-(piperidin-1-yl)propanehydrazide
• Synonyms: 3-(1-Piperidinyl)propanohydrazide; 3-Piperidin-1-yl-propionic acid hydrazide

Database IDs

• CAS Number: 29800-31-5
• MDL Number: MFCD01162522
• PubChem SID: 160987645
• PubChem CID: 776458

CALCULATED PROPERTIES

• Acid pKa: 13.3064375
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.7458494
• LogD (pH = 7.4): -2.4984648
• Log P: -0.34788665
• Molar Refractivity: 49.2204 cm^3
• Polarizability: 18.90024 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.144

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%