dimethyl({[1-(piperidin-4-yl)piperidin-4-yl]methyl})amine

• ChemBase ID: 15766
• Molecular Formular: C13H27N3
• Molecular Mass: 225.37358
• Monoisotopic Mass: 225.22049788
• SMILES: N1(CCC(CC1)CN(C)C)C1CCNCC1
• Canonical SMILES: CN(CC1CCN(CC1)C1CCNCC1)C
• InChI: InChI=1S/C13H27N3/c1-15(2)11-12-5-9-16(10-6-12)13-3-7-14-8-4-13/h12-14H,3-11H2,1-2H3
• InChIKey: MLVPRIFEJJPBCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({[1-(piperidin-4-yl)piperidin-4-yl]methyl})amine
• IUPAC Traditional name: dimethyl({[1-(piperidin-4-yl)piperidin-4-yl]methyl})amine
• Synonyms: (1,4'-Bipiperidin-4-ylmethyl)dimethylamine; 4-[4-Methyl(N,N-dimethylamino)piperidin-1-yl]piperidine

Database IDs

• CAS Number: 883516-04-9
• MDL Number: MFCD06799964
• PubChem SID: 160979073
• PubChem CID: 23004741

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -8.665766
• LogD (pH = 7.4): -5.5211062
• Log P: 0.32133454
• Molar Refractivity: 70.4136 cm^3
• Polarizability: 27.824001 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false