4-(3-iodophenoxy)piperidine

• ChemBase ID: 20958
• Molecular Formular: C11H14INO
• Molecular Mass: 303.13943
• Monoisotopic Mass: 303.01201207
• SMILES: N1CCC(Oc2cc(I)ccc2)CC1
• Canonical SMILES: Ic1cccc(c1)OC1CCNCC1
• InChI: InChI=1S/C11H14INO/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10/h1-3,8,10,13H,4-7H2
• InChIKey: ANYHKDGHXMOCAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-iodophenoxy)piperidine
• IUPAC Traditional name: 4-(3-iodophenoxy)piperidine
• Synonyms: 3-Iodophenyl 4-piperidinyl ether

Database IDs

• MDL Number: MFCD08687944
• PubChem SID: 160984265
• PubChem CID: 26191703

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8191215
• LogD (pH = 7.4): 0.025197102
• Log P: 2.3882773
• Molar Refractivity: 66.0401 cm^3
• Polarizability: 26.078875 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false