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

• ChemBase ID: 306719
• Molecular Formular: C11H15NOS
• Molecular Mass: 209.3079
• Monoisotopic Mass: 209.08743511
• SMILES: s1c(ccc1C=O)CN1CCCCC1
• Canonical SMILES: O=Cc1ccc(s1)CN1CCCCC1
• InChI: InChI=1S/C11H15NOS/c13-9-11-5-4-10(14-11)8-12-6-2-1-3-7-12/h4-5,9H,1-3,6-8H2
• InChIKey: RWKSLQNLAHNVDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(piperidin-1-ylmethyl)thiophene-2-carbaldehyde
• IUPAC Traditional name: 5-(piperidin-1-ylmethyl)thiophene-2-carbaldehyde
• Synonyms: 5-(piperidin-1-ylmethyl)thiophene-2-carbaldehyde

Database IDs

• CAS Number: 7136-41-6
• MDL Number: MFCD06803314

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.33497015
• LogD (pH = 7.4): 2.0422244
• Log P: 2.522832
• Molar Refractivity: 60.0007 cm^3
• Polarizability: 22.734114 Å^3
• Polar Surface Area: 20.31 Å^2