(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-amine

• ChemBase ID: 308849
• Molecular Formular: C9H19N3O
• Molecular Mass: 185.26666
• Monoisotopic Mass: 185.15281224
• SMILES: N1([C@@H]2[C@@H](N)COC2)CCN(CC1)C
• Canonical SMILES: N[C@H]1COC[C@@H]1N1CCN(CC1)C
• InChI: InChI=1S/C9H19N3O/c1-11-2-4-12(5-3-11)9-7-13-6-8(9)10/h8-9H,2-7,10H2,1H3/t8-,9-/m0/s1
• InChIKey: OJANKABONAWVQQ-IUCAKERBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-amine
• IUPAC Traditional name: (3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-amine
• Synonyms: trans-4-(4-methyl-1-piperazinyl)tetrahydro-3-furanamine

Database IDs

• CAS Number: 1212384-71-8
• MDL Number: MFCD11520516

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.974195
• LogD (pH = 7.4): -2.884417
• Log P: -0.85866106
• Molar Refractivity: 52.4029 cm^3
• Polarizability: 21.12019 Å^3
• Polar Surface Area: 41.73 Å^2