4-(piperidin-1-ylmethyl)thiophene-2-carbaldehyde

• ChemBase ID: 306723
• Molecular Formular: C11H15NOS
• Molecular Mass: 209.3079
• Monoisotopic Mass: 209.08743511
• SMILES: c1(cc(sc1)C=O)CN1CCCCC1
• Canonical SMILES: O=Cc1scc(c1)CN1CCCCC1
• InChI: InChI=1S/C11H15NOS/c13-8-11-6-10(9-14-11)7-12-4-2-1-3-5-12/h6,8-9H,1-5,7H2
• InChIKey: LUVAADJQCRBJKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-1-ylmethyl)thiophene-2-carbaldehyde
• IUPAC Traditional name: 4-(piperidin-1-ylmethyl)thiophene-2-carbaldehyde
• Synonyms: 4-(piperidin-1-ylmethyl)thiophene-2-carbaldehyde

Database IDs

• CAS Number: 893745-85-2
• MDL Number: MFCD06803375

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.37435234
• LogD (pH = 7.4): 2.0218337
• Log P: 2.3903925
• Molar Refractivity: 60.2166 cm^3
• Polarizability: 22.731525 Å^3
• Polar Surface Area: 20.31 Å^2