ethyl 3-hydroxypiperidine-1-carboxylate

• ChemBase ID: 51815
• Molecular Formular: C8H15NO3
• Molecular Mass: 173.2096
• Monoisotopic Mass: 173.10519335
• SMILES: N1(C(=O)OCC)CC(O)CCC1
• Canonical SMILES: CCOC(=O)N1CCCC(C1)O
• InChI: InChI=1S/C8H15NO3/c1-2-12-8(11)9-5-3-4-7(10)6-9/h7,10H,2-6H2,1H3
• InChIKey: NVDAHZBUGRZLMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-hydroxypiperidine-1-carboxylate
• IUPAC Traditional name: ethyl 3-hydroxypiperidine-1-carboxylate
• Synonyms: Ethyl 3-hydroxypiperidine-1-carboxylate

Database IDs

• CAS Number: 73193-61-0
• MDL Number: MFCD12181159
• PubChem SID: 162056578
• PubChem CID: 251482

CALCULATED PROPERTIES

• Acid pKa: 14.863168
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.16862541
• LogD (pH = 7.4): 0.1686254
• Log P: 0.16862541
• Molar Refractivity: 44.135 cm^3
• Polarizability: 17.315302 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%