1,4-dimethylpiperidine-4-carbaldehyde

• ChemBase ID: 307677
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: N1(CCC(C=O)(CC1)C)C
• Canonical SMILES: O=CC1(C)CCN(CC1)C
• InChI: InChI=1S/C8H15NO/c1-8(7-10)3-5-9(2)6-4-8/h7H,3-6H2,1-2H3
• InChIKey: XIXDVORUELSTEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dimethylpiperidine-4-carbaldehyde
• IUPAC Traditional name: 1,4-dimethylpiperidine-4-carbaldehyde
• Synonyms: 1,4-dimethyl-4-piperidinecarbaldehyde

Database IDs

• CAS Number: 1176542-59-8
• MDL Number: MFCD12198428

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.3568828
• LogD (pH = 7.4): -0.64830405
• Log P: 0.66067815
• Molar Refractivity: 41.9456 cm^3
• Polarizability: 16.334124 Å^3
• Polar Surface Area: 20.31 Å^2