1-{furo[3,2-c]pyridin-4-yl}piperazine

• ChemBase ID: 71011
• Molecular Formular: C11H13N3O
• Molecular Mass: 203.24042
• Monoisotopic Mass: 203.10586205
• SMILES: c1(c2c(ccn1)occ2)N1CCNCC1
• Canonical SMILES: N1CCN(CC1)c1nccc2c1cco2
• InChI: InChI=1S/C11H13N3O/c1-3-13-11(9-2-8-15-10(1)9)14-6-4-12-5-7-14/h1-3,8,12H,4-7H2
• InChIKey: LUIZVTKJWSGSPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{furo[3,2-c]pyridin-4-yl}piperazine
• IUPAC Traditional name: 1-{furo[3,2-c]pyridin-4-yl}piperazine
• Synonyms: 4-(Piperazin-1-yl)furo[3,2-c]pyridine; 4-Piperazin-1-yl-furo[3,2-c]pyridine

Database IDs

• CAS Number: 81078-84-4
• MDL Number: MFCD06411551
• PubChem SID: 162036717
• PubChem CID: 2794808

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8735149
• LogD (pH = 7.4): -0.2902107
• Log P: 1.0812699
• Molar Refractivity: 58.2397 cm^3
• Polarizability: 23.118885 Å^3
• Polar Surface Area: 41.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%