N-ethyl-4-hydroxypiperidine-1-carboxamide

• ChemBase ID: 51206
• Molecular Formular: C8H16N2O2
• Molecular Mass: 172.22484
• Monoisotopic Mass: 172.12117776
• SMILES: C(=O)(N1CCC(CC1)O)NCC
• Canonical SMILES: CCNC(=O)N1CCC(CC1)O
• InChI: InChI=1S/C8H16N2O2/c1-2-9-8(12)10-5-3-7(11)4-6-10/h7,11H,2-6H2,1H3,(H,9,12)
• InChIKey: KHDCRLYJCGWTEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-4-hydroxypiperidine-1-carboxamide
• IUPAC Traditional name: N-ethyl-4-hydroxypiperidine-1-carboxamide
• Synonyms: N-Ethyl-4-hydroxypiperidine-1-carboxamide

Database IDs

• MDL Number: MFCD12185727
• PubChem SID: 162055969
• PubChem CID: 43502736

CALCULATED PROPERTIES

• Acid pKa: 15.023387
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0179383
• LogD (pH = 7.4): -1.0179381
• Log P: -1.0179381
• Molar Refractivity: 46.3056 cm^3
• Polarizability: 17.736725 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%