4-methoxypiperidine-1-carboximidamide hydrobromide

• ChemBase ID: 248822
• Molecular Formular: C7H16BrN3O
• Molecular Mass: 238.12544
• Monoisotopic Mass: 237.04767415
• SMILES: C(=N)(N1CCC(CC1)OC)N.Br
• Canonical SMILES: COC1CCN(CC1)C(=N)N.Br
• InChI: InChI=1S/C7H15N3O.BrH/c1-11-6-2-4-10(5-3-6)7(8)9;/h6H,2-5H2,1H3,(H3,8,9);1H
• InChIKey: RSISBACUDUTZMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxypiperidine-1-carboximidamide hydrobromide
• IUPAC Traditional name: 4-methoxypiperidine-1-carboximidamide hydrobromide
• Synonyms: 4-methoxypiperidine-1-carboximidamide hydrobromide

Database IDs

• PubChem SID: 164304732
• PubChem CID: 71758599

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.151518
• LogD (pH = 7.4): -3.1508636
• Log P: -0.7360675
• Molar Refractivity: 54.4036 cm^3
• Polarizability: 16.603872 Å^3
• Polar Surface Area: 62.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.336

Product Information

• Purity: 95%