2-[4-(piperidin-4-yl)piperazin-1-yl]ethan-1-ol

• ChemBase ID: 311733
• Molecular Formular: C11H23N3O
• Molecular Mass: 213.31982
• Monoisotopic Mass: 213.18411237
• SMILES: N1(C2CCNCC2)CCN(CC1)CCO
• Canonical SMILES: OCCN1CCN(CC1)C1CCNCC1
• InChI: InChI=1S/C11H23N3O/c15-10-9-13-5-7-14(8-6-13)11-1-3-12-4-2-11/h11-12,15H,1-10H2
• InChIKey: YNGKKJBRHMCKAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(piperidin-4-yl)piperazin-1-yl]ethan-1-ol
• IUPAC Traditional name: 2-[4-(piperidin-4-yl)piperazin-1-yl]ethanol
• Synonyms: 2-(4-piperidin-4-ylpiperazin-1-yl)ethanol

Database IDs

• CAS Number: 884497-64-7
• MDL Number: MFCD05863705

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -6.6066203
• LogD (pH = 7.4): -4.3231034
• Log P: -1.0090548
• Molar Refractivity: 62.4869 cm^3
• Polarizability: 24.732004 Å^3
• Polar Surface Area: 38.74 Å^2