1-(pyrimidin-2-yl)piperidine-4-carbohydrazide

• ChemBase ID: 270505
• Molecular Formular: C10H15N5O
• Molecular Mass: 221.259
• Monoisotopic Mass: 221.12766013
• SMILES: c1(N2CCC(C(=O)NN)CC2)ncccn1
• Canonical SMILES: NNC(=O)C1CCN(CC1)c1ncccn1
• InChI: InChI=1S/C10H15N5O/c11-14-9(16)8-2-6-15(7-3-8)10-12-4-1-5-13-10/h1,4-5,8H,2-3,6-7,11H2,(H,14,16)
• InChIKey: QQRGLVPMUICLKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrimidin-2-yl)piperidine-4-carbohydrazide
• IUPAC Traditional name: 1-(pyrimidin-2-yl)piperidine-4-carbohydrazide
• Synonyms: 1-(pyrimidin-2-yl)piperidine-4-carbohydrazide

Database IDs

• MDL Number: MFCD06740666
• PubChem SID: 164326415
• PubChem CID: 7174141

CALCULATED PROPERTIES

• Acid pKa: 12.281635
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.1985076
• LogD (pH = 7.4): -0.19380777
• Log P: -0.19374232
• Molar Refractivity: 61.7851 cm^3
• Polarizability: 22.663692 Å^3
• Polar Surface Area: 84.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 237 - 239°C
• Hydrophobicity(logP): -1.68

Product Information

• Purity: 95%