methyl 1-(piperidin-4-yl)pyrrolidine-2-carboxylate

• ChemBase ID: 261061
• Molecular Formular: C11H20N2O2
• Molecular Mass: 212.2887
• Monoisotopic Mass: 212.15247789
• SMILES: N1(C(C(=O)OC)CCC1)C1CCNCC1
• Canonical SMILES: COC(=O)C1CCCN1C1CCNCC1
• InChI: InChI=1S/C11H20N2O2/c1-15-11(14)10-3-2-8-13(10)9-4-6-12-7-5-9/h9-10,12H,2-8H2,1H3
• InChIKey: NGBZRZOOOZZVOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-(piperidin-4-yl)pyrrolidine-2-carboxylate
• IUPAC Traditional name: methyl 1-(piperidin-4-yl)pyrrolidine-2-carboxylate
• Synonyms: methyl 1-(piperidin-4-yl)pyrrolidine-2-carboxylate

Database IDs

• MDL Number: MFCD06657465
• PubChem SID: 164316971
• PubChem CID: 45791582

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.15832
• LogD (pH = 7.4): -2.6645908
• Log P: 0.075558774
• Molar Refractivity: 58.2845 cm^3
• Polarizability: 23.3534 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.255

Product Information

• Purity: 95%