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

• ChemBase ID: 16547
• Molecular Formular: C10H13NOS
• Molecular Mass: 195.28132
• Monoisotopic Mass: 195.07178504
• SMILES: c1(sc(cc1)C=O)N1CCCCC1
• Canonical SMILES: O=Cc1ccc(s1)N1CCCCC1
• InChI: InChI=1S/C10H13NOS/c12-8-9-4-5-10(13-9)11-6-2-1-3-7-11/h4-5,8H,1-3,6-7H2
• InChIKey: SFDXRMCPPLZJBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(piperidin-1-yl)thiophene-2-carbaldehyde
• IUPAC Traditional name: 5-(piperidin-1-yl)thiophene-2-carbaldehyde
• Synonyms: 5-(piperidin-1-yl)thiophene-2-carbaldehyde; 5-piperidinothiophene-2-carbaldehyde; 5-Piperidino-2-thiophenecarbaldehyde; 5-Piperidin-1-yl-2-formylthiophene; 5-(Piperidin-1-yl)thiophene-2-carboxaldehyde 97%; 5-Piperidin-1-yl-thiophene-2-carbaldehyde; 5-piperidin-1-ylthiophene-2-carbaldehyde

Database IDs

• CAS Number: 24372-48-3
• MDL Number: MFCD05263177
• PubChem SID: 160979854
• PubChem CID: 2113341

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7230356
• LogD (pH = 7.4): 2.7230356
• Log P: 2.7230356
• Molar Refractivity: 55.2624 cm^3
• Polarizability: 20.509117 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 73 - 75°C; 91 - 93 °C
• Partition Coefficient: 2.6
• Hydrophobicity(logP): 3.01

Safety Information

• Storage Warning: Harmful; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 95+%; 97%