dimethyl({[1-(piperidin-4-yl)piperidin-3-yl]methyl})amine

• ChemBase ID: 15767
• Molecular Formular: C13H27N3
• Molecular Mass: 225.37358
• Monoisotopic Mass: 225.22049788
• SMILES: N1(CC(CCC1)CN(C)C)C1CCNCC1
• Canonical SMILES: CN(CC1CCCN(C1)C1CCNCC1)C
• InChI: InChI=1S/C13H27N3/c1-15(2)10-12-4-3-9-16(11-12)13-5-7-14-8-6-13/h12-14H,3-11H2,1-2H3
• InChIKey: BACUERBVBVPLKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({[1-(piperidin-4-yl)piperidin-3-yl]methyl})amine
• IUPAC Traditional name: dimethyl({[1-(piperidin-4-yl)piperidin-3-yl]methyl})amine
• Synonyms: (1,4'-Bipiperidin-3-ylmethyl)dimethylamine; 4-[3-Methyl(N,N-dimethylamino)piperidin-1-yl]piperidine

Database IDs

• CAS Number: 883515-98-8
• MDL Number: MFCD06799963
• PubChem SID: 160979074
• PubChem CID: 23004742

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -7.8102775
• LogD (pH = 7.4): -4.8484244
• Log P: 0.36289126
• Molar Refractivity: 70.3148 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