1-(oxolan-2-ylmethyl)piperazine hydrochloride

• ChemBase ID: 239668
• Molecular Formular: C9H19ClN2O
• Molecular Mass: 206.71296
• Monoisotopic Mass: 206.11859092
• SMILES: N1(CC2OCCC2)CCNCC1.Cl
• Canonical SMILES: N1CCN(CC1)CC1CCCO1.Cl
• InChI: InChI=1S/C9H18N2O.ClH/c1-2-9(12-7-1)8-11-5-3-10-4-6-11;/h9-10H,1-8H2;1H
• InChIKey: HUHKAMZONIHCPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxolan-2-ylmethyl)piperazine hydrochloride
• IUPAC Traditional name: 1-(oxolan-2-ylmethyl)piperazine hydrochloride
• Synonyms: 1-(tetrahydrofuran-2-ylmethyl)piperazine hydrochloride

Database IDs

• MDL Number: MFCD08729303
• PubChem SID: 164295578
• PubChem CID: 43810427

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2008336
• LogD (pH = 7.4): -1.848209
• Log P: 0.07283013
• Molar Refractivity: 48.9982 cm^3
• Polarizability: 19.593437 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 205 - 207°C
• Hydrophobicity(logP): 0.18

Product Information

• Purity: 95%
• Salt Data: HCl