1-(oxan-4-yl)piperidin-4-amine dihydrochloride

• ChemBase ID: 55131
• Molecular Formular: C10H22Cl2N2O
• Molecular Mass: 257.20048
• Monoisotopic Mass: 256.11091869
• SMILES: O1CCC(CC1)N1CCC(CC1)N.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)C1CCOCC1.Cl.Cl
• InChI: InChI=1S/C10H20N2O.2ClH/c11-9-1-5-12(6-2-9)10-3-7-13-8-4-10;;/h9-10H,1-8,11H2;2*1H
• InChIKey: HYXJEJRVAXONMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxan-4-yl)piperidin-4-amine dihydrochloride
• IUPAC Traditional name: 1-(oxan-4-yl)piperidin-4-amine dihydrochloride
• Synonyms: 1-(Tetrahydro-2H-pyran-4-yl)-4-piperidinamine dihydrochloride; 1-(Tetrahydro-2H-pyran-4-yl)piperidin-4-amine dihydrochloride

Database IDs

• CAS Number: 794471-13-9
• MDL Number: MFCD09759192
• PubChem SID: 162059894
• PubChem CID: 45156751

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.7798786
• LogD (pH = 7.4): -4.848967
• Log P: -0.63746667
• Molar Refractivity: 53.8454 cm^3
• Polarizability: 21.43625 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C10H22Cl2N2O

DETAILS

Sigma Aldrich - CBR00971

Other Notes
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Legal Information
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