1-(pyrimidin-2-yl)piperidin-4-amine dihydrochloride

• ChemBase ID: 123245
• Molecular Formular: C9H16Cl2N4
• Molecular Mass: 251.15614
• Monoisotopic Mass: 250.07520189
• SMILES: c1(N2CCC(CC2)N)ncccn1.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)c1ncccn1.Cl.Cl
• InChI: InChI=1S/C9H14N4.2ClH/c10-8-2-6-13(7-3-8)9-11-4-1-5-12-9;;/h1,4-5,8H,2-3,6-7,10H2;2*1H
• InChIKey: OVFZNPHDEQRURU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrimidin-2-yl)piperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-(pyrimidin-2-yl)piperidin-4-amine dihydrochloride
• Synonyms: 1-(pyrimidin-2-yl)piperidin-4-amine dihydrochloride

Database IDs

• PubChem SID: 162217598
• PubChem CID: 45156299

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.9739666
• LogD (pH = 7.4): -2.437494
• Log P: 0.047743134
• Molar Refractivity: 52.4787 cm^3
• Polarizability: 19.681753 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl