[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine

• ChemBase ID: 15750
• Molecular Formular: C12H25N3
• Molecular Mass: 211.347
• Monoisotopic Mass: 211.20484782
• SMILES: C1C(CCN(C1)C1CCN(CC1)C)CN
• Canonical SMILES: NCC1CCN(CC1)C1CCN(CC1)C
• InChI: InChI=1S/C12H25N3/c1-14-6-4-12(5-7-14)15-8-2-11(10-13)3-9-15/h11-12H,2-10,13H2,1H3
• InChIKey: ADFNFTLPQOJDDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine
• IUPAC Traditional name: [1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine
• Synonyms: 1-(1'-Methyl-1,4'-bipiperidin-4-yl)methanamine

Database IDs

• CAS Number: 883533-01-5
• MDL Number: MFCD06800995
• PubChem SID: 160979057
• PubChem CID: 23004733

CALCULATED PROPERTIES

• Log P: -0.11124586
• Molar Refractivity: 65.639 cm^3
• Polarizability: 25.977915 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -8.206518
• LogD (pH = 7.4): -5.484089

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false