1-(oxolan-3-ylmethyl)piperazine

• ChemBase ID: 235144
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: N1(CC2COCC2)CCNCC1
• Canonical SMILES: N1CCN(CC1)CC1COCC1
• InChI: InChI=1S/C9H18N2O/c1-6-12-8-9(1)7-11-4-2-10-3-5-11/h9-10H,1-8H2
• InChIKey: BSWVSDVQRSJADG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxolan-3-ylmethyl)piperazine
• IUPAC Traditional name: 1-(oxolan-3-ylmethyl)piperazine
• Synonyms: 1-(oxolan-3-ylmethyl)piperazine

Database IDs

• MDL Number: MFCD12825013
• PubChem SID: 164291054
• PubChem CID: 13742285

CALCULATED PROPERTIES

• Log P: -0.326984
• Molar Refractivity: 49.3372 cm^3
• Polarizability: 19.593437 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.8904076
• LogD (pH = 7.4): -2.6176555

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.586

Product Information

• Purity: 95%