methyl({[5-(piperidin-1-yl)thiophen-2-yl]methyl})amine

• ChemBase ID: 87373
• Molecular Formular: C11H18N2S
• Molecular Mass: 210.33902
• Monoisotopic Mass: 210.11906959
• SMILES: s1c(ccc1N1CCCCC1)CNC
• Canonical SMILES: CNCc1ccc(s1)N1CCCCC1
• InChI: InChI=1S/C11H18N2S/c1-12-9-10-5-6-11(14-10)13-7-3-2-4-8-13/h5-6,12H,2-4,7-9H2,1H3
• InChIKey: IYCFKHSEOVLIPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[5-(piperidin-1-yl)thiophen-2-yl]methyl})amine
• IUPAC Traditional name: methyl({[5-(piperidin-1-yl)thiophen-2-yl]methyl})amine
• Synonyms: N-methyl-[(5-piperidinothien-2-yl)methyl]amine; N-Methyl-1-[5-(piperidin-1-yl)thiophen-2-yl]methylamine; 2-[(Methylamino)methyl]-5-piperidin-1-ylthiophene

Database IDs

• CAS Number: 953409-06-8
• MDL Number: MFCD11506355
• PubChem SID: 162074476
• PubChem CID: 33589555

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5828809
• LogD (pH = 7.4): 0.6092681
• Log P: 2.568882
• Molar Refractivity: 61.9264 cm^3
• Polarizability: 23.796278 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%