1-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)piperidin-4-amine hydrochloride

• ChemBase ID: 269431
• Molecular Formular: C7H15ClN6
• Molecular Mass: 218.6872
• Monoisotopic Mass: 218.10467219
• SMILES: c1(n(nnn1)C)N1CCC(CC1)N.Cl
• Canonical SMILES: NC1CCN(CC1)c1nnnn1C.Cl
• InChI: InChI=1S/C7H14N6.ClH/c1-12-7(9-10-11-12)13-4-2-6(8)3-5-13;/h6H,2-5,8H2,1H3;1H
• InChIKey: SWOLZFDRXDGBLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)piperidin-4-amine hydrochloride
• IUPAC Traditional name: 1-(1-methyl-1,2,3,4-tetrazol-5-yl)piperidin-4-amine hydrochloride
• Synonyms: 1-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)piperidin-4-amine hydrochloride

Database IDs

• MDL Number: MFCD17167135
• PubChem SID: 164325341
• PubChem CID: 50988505

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.6632807
• LogD (pH = 7.4): -3.1290305
• Log P: -0.64381665
• Molar Refractivity: 62.8183 cm^3
• Polarizability: 18.336452 Å^3
• Polar Surface Area: 72.86 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 243 - 245°C
• Hydrophobicity(logP): -0.868

Product Information

• Purity: 95%