1-(thiophen-2-ylmethyl)piperidin-4-amine dihydrochloride

• ChemBase ID: 264794
• Molecular Formular: C10H18Cl2N2S
• Molecular Mass: 269.23432
• Monoisotopic Mass: 268.05677495
• SMILES: N1(Cc2sccc2)CCC(CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)Cc1cccs1.Cl.Cl
• InChI: InChI=1S/C10H16N2S.2ClH/c11-9-3-5-12(6-4-9)8-10-2-1-7-13-10;;/h1-2,7,9H,3-6,8,11H2;2*1H
• InChIKey: ZAAXJLLSINHSKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(thiophen-2-ylmethyl)piperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-(thiophen-2-ylmethyl)piperidin-4-amine dihydrochloride
• Synonyms: 1-(thiophen-2-ylmethyl)piperidin-4-amine dihydrochloride

Database IDs

• MDL Number: MFCD14705637
• PubChem SID: 164320704
• PubChem CID: 22748866

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.375049
• LogD (pH = 7.4): -2.309503
• Log P: 1.0387018
• Molar Refractivity: 56.8724 cm^3
• Polarizability: 22.350176 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 258 - 260°C
• Hydrophobicity(logP): 0.828

Product Information

• Purity: 95%