2-chloro-6-(piperidin-4-ylmethoxy)pyrazine hydrochloride

• ChemBase ID: 47394
• Molecular Formular: C10H15Cl2N3O
• Molecular Mass: 264.1516
• Monoisotopic Mass: 263.05921748
• SMILES: n1c(OCC2CCNCC2)cncc1Cl.Cl
• Canonical SMILES: Clc1cncc(n1)OCC1CCNCC1.Cl
• InChI: InChI=1S/C10H14ClN3O.ClH/c11-9-5-13-6-10(14-9)15-7-8-1-3-12-4-2-8;/h5-6,8,12H,1-4,7H2;1H
• InChIKey: DAWOHUWWWPSERK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(piperidin-4-ylmethoxy)pyrazine hydrochloride
• IUPAC Traditional name: 2-chloro-6-(piperidin-4-ylmethoxy)pyrazine hydrochloride
• Synonyms: 2-Chloro-6-(4-piperidinylmethoxy)pyrazine hydrochloride

Database IDs

• MDL Number: MFCD13561258
• PubChem SID: 162052157
• PubChem CID: 56831270

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.3281531
• LogD (pH = 7.4): -1.8673817
• Log P: 0.90326804
• Molar Refractivity: 59.3614 cm^3
• Polarizability: 23.042833 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false