1-(1,4-dioxan-2-ylmethyl)piperazine

• ChemBase ID: 274320
• Molecular Formular: C9H18N2O2
• Molecular Mass: 186.25142
• Monoisotopic Mass: 186.13682783
• SMILES: N1(CC2OCCOC2)CCNCC1
• Canonical SMILES: N1CCN(CC1)CC1COCCO1
• InChI: InChI=1S/C9H18N2O2/c1-3-11(4-2-10-1)7-9-8-12-5-6-13-9/h9-10H,1-8H2
• InChIKey: IZXANIROTRBABE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1,4-dioxan-2-ylmethyl)piperazine
• IUPAC Traditional name: 1-(1,4-dioxan-2-ylmethyl)piperazine
• Synonyms: 1-(1,4-dioxan-2-ylmethyl)piperazine

Database IDs

• MDL Number: MFCD12779495
• PubChem SID: 164330230
• PubChem CID: 10535558

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.7482533
• LogD (pH = 7.4): -2.4108486
• Log P: -0.5514678
• Molar Refractivity: 50.5317 cm^3
• Polarizability: 20.293 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.356

Product Information

• Purity: 95%