methyl({[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl})amine

• ChemBase ID: 77489
• Molecular Formular: C12H20N2S
• Molecular Mass: 224.3656
• Monoisotopic Mass: 224.13471965
• SMILES: s1c(ccc1)CN1CCC(CC1)CNC
• Canonical SMILES: CNCC1CCN(CC1)Cc1cccs1
• InChI: InChI=1S/C12H20N2S/c1-13-9-11-4-6-14(7-5-11)10-12-3-2-8-15-12/h2-3,8,11,13H,4-7,9-10H2,1H3
• InChIKey: JXFQDIBOGWDEEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl})amine
• IUPAC Traditional name: methyl({[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl})amine
• Synonyms: 4-[(Methylamino)methyl]-1-(thien-2-ylmethyl)piperidine 97%; N-methyl-[1-(thien-2-ylmethyl)piperid-4-yl]methylamine

Database IDs

• CAS Number: 930111-07-2
• MDL Number: MFCD09879955
• PubChem SID: 162042361
• PubChem CID: 24229738

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.591203
• LogD (pH = 7.4): -2.812773
• Log P: 1.9318829
• Molar Refractivity: 66.465 cm^3
• Polarizability: 26.037945 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%