2-(propan-2-yl)piperidine

• ChemBase ID: 813153
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: C1CCNC(C1)C(C)C
• Canonical SMILES: CC(C1CCCCN1)C
• InChI: InChI=1S/C8H17N/c1-7(2)8-5-3-4-6-9-8/h7-9H,3-6H2,1-2H3
• InChIKey: UGZMDPJPZIDCOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yl)piperidine
• IUPAC Traditional name: 2-isopropylpiperidine
• Synonyms: 2-(1-METHYLETHYL)PIPERIDINE

Database IDs

• CAS Number: 22977-56-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2759422
• LogD (pH = 7.4): -1.0177995
• Log P: 1.9615579
• Molar Refractivity: 40.2498 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%