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

• ChemBase ID: 308659
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: N1([C@@H]2[C@@H](N)COC2)CCCCC1
• Canonical SMILES: N[C@H]1COC[C@@H]1N1CCCCC1
• InChI: InChI=1S/C9H18N2O/c10-8-6-12-7-9(8)11-4-2-1-3-5-11/h8-9H,1-7,10H2/t8-,9-/m0/s1
• InChIKey: LIVAHWSHBPBTDT-IUCAKERBSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1212094-22-8
• MDL Number: MFCD11617301

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.1238236
• LogD (pH = 7.4): -1.7413204
• Log P: 0.14458548
• Molar Refractivity: 48.4948 cm^3
• Polarizability: 19.593437 Å^3
• Polar Surface Area: 38.49 Å^2