octahydropiperazino[2,1-c]morpholine

• ChemBase ID: 248170
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: N12C(CNCC1)COCC2
• Canonical SMILES: C1NCC2N(C1)CCOC2
• InChI: InChI=1S/C7H14N2O/c1-2-9-3-4-10-6-7(9)5-8-1/h7-8H,1-6H2
• InChIKey: ZWNWCROZSHWHSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydropiperazino[2,1-c]morpholine
• IUPAC Traditional name: octahydropiperazino[2,1-c]morpholine
• Synonyms: octahydropyrazino[2,1-c][1,4]oxazine; octahydropiperazino[2,1-c]morpholine

Database IDs

• CAS Number: 141108-65-8
• MDL Number: MFCD16987802
• PubChem SID: 164304080
• PubChem CID: 19777228

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.605232
• LogD (pH = 7.4): -2.2306292
• Log P: -0.5044923
• Molar Refractivity: 39.4882 cm^3
• Polarizability: 15.91041 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.216

Product Information

• Purity: 95%