methyl 2-(4-aminopiperidin-1-yl)acetate

• ChemBase ID: 308826
• Molecular Formular: C8H16N2O2
• Molecular Mass: 172.22484
• Monoisotopic Mass: 172.12117776
• SMILES: N1(CC(=O)OC)CCC(CC1)N
• Canonical SMILES: COC(=O)CN1CCC(CC1)N
• InChI: InChI=1S/C8H16N2O2/c1-12-8(11)6-10-4-2-7(9)3-5-10/h7H,2-6,9H2,1H3
• InChIKey: KCPROYBAZSZKEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(4-aminopiperidin-1-yl)acetate
• IUPAC Traditional name: methyl 2-(4-aminopiperidin-1-yl)acetate
• Synonyms: methyl (4-amino-1-piperidinyl)acetate

Database IDs

• CAS Number: 90152-50-4
• MDL Number: MFCD09043338

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.4767137
• LogD (pH = 7.4): -3.6904962
• Log P: -0.9747754
• Molar Refractivity: 46.2236 cm^3
• Polarizability: 18.562765 Å^3
• Polar Surface Area: 55.56 Å^2