4-(piperidin-4-yloxy)pyridine dihydrochloride

• ChemBase ID: 70331
• Molecular Formular: C10H16Cl2N2O
• Molecular Mass: 251.15284
• Monoisotopic Mass: 250.0639685
• SMILES: c1cc(ccn1)OC1CCNCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)Oc1ccncc1.Cl.Cl
• InChI: InChI=1S/C10H14N2O.2ClH/c1-5-11-6-2-9(1)13-10-3-7-12-8-4-10;;/h1-2,5-6,10,12H,3-4,7-8H2;2*1H
• InChIKey: NCBQKBGLOIQMLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-4-yloxy)pyridine dihydrochloride
• IUPAC Traditional name: 4-(piperidin-4-yloxy)pyridine dihydrochloride
• Synonyms: 4-(Piperidin-4-yloxy)pyridine dihydrochloride; 4-[(Pyridin-4-yl)oxy]piperidine dihydrochloride; 4-[(Piperidin-4-yl)oxy]pyridine dihydrochloride

Database IDs

• CAS Number: 308386-36-9
• MDL Number: MFCD03840121
• PubChem SID: 162036052
• PubChem CID: 17749787

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6859562
• LogD (pH = 7.4): -2.1642942
• Log P: 0.24166031
• Molar Refractivity: 50.5207 cm^3
• Polarizability: 20.107784 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%