ethyl 4-hydroxypiperidine-1-carboxylate

• ChemBase ID: 92285
• Molecular Formular: C8H15NO3
• Molecular Mass: 173.2096
• Monoisotopic Mass: 173.10519335
• SMILES: N1(C(=O)OCC)CCC(CC1)O
• Canonical SMILES: CCOC(=O)N1CCC(CC1)O
• InChI: InChI=1S/C8H15NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h7,10H,2-6H2,1H3
• InChIKey: QABJNOSERNVHDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-hydroxypiperidine-1-carboxylate
• IUPAC Traditional name: ethyl 4-hydroxypiperidine-1-carboxylate
• Synonyms: 1-(Ethoxycarbonyl)-4-hydroxypiperidine; Ethyl 4-hydroxypiperidine-1-carboxylate; 4-Hydroxypiperidine-1-carboxylic acid ethyl ester; 1-Ethoxycarbonyl-1-piperidinol; Ethyl 4-hydroxypiperidine-1-carboxylate; 4-羟基哌啶-1-甲酸乙酯

Database IDs

• CAS Number: 65214-82-6
• EC Number: 265-636-5
• MDL Number: MFCD00086880
• PubChem SID: 162078983
• PubChem CID: 96394

CALCULATED PROPERTIES

• Acid pKa: 15.177349
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2887775
• LogD (pH = 7.4): -0.28877753
• Log P: -0.2887775
• Molar Refractivity: 44.3558 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

• Refractive Index: 1.4802
• Hydrophobicity(logP): 0.073

Safety Information

• Storage Warning: Irritant/Store under Argon
• TSCA Listed: 否

Product Information

• Purity: 95%; 97%; 98%