methyl 4-methoxypiperidine-2-carboxylate

• ChemBase ID: 244664
• Molecular Formular: C8H15NO3
• Molecular Mass: 173.2096
• Monoisotopic Mass: 173.10519335
• SMILES: C(=O)(C1NCCC(C1)OC)OC
• Canonical SMILES: COC1CCNC(C1)C(=O)OC
• InChI: InChI=1S/C8H15NO3/c1-11-6-3-4-9-7(5-6)8(10)12-2/h6-7,9H,3-5H2,1-2H3
• InChIKey: UBPQLOKXPFXZGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-methoxypiperidine-2-carboxylate
• IUPAC Traditional name: methyl 4-methoxypiperidine-2-carboxylate
• Synonyms: methyl 4-methoxypiperidine-2-carboxylate

Database IDs

• PubChem SID: 164300574
• PubChem CID: 68047992

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2099751
• LogD (pH = 7.4): -0.42511484
• Log P: -0.39585873
• Molar Refractivity: 43.7679 cm^3
• Polarizability: 17.755844 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.547

Product Information

• Purity: 95%