1-(1-methylpiperidin-4-yl)piperidin-4-amine

• ChemBase ID: 266207
• Molecular Formular: C11H23N3
• Molecular Mass: 197.32042
• Monoisotopic Mass: 197.18919775
• SMILES: N1(C2CCN(CC2)C)CCC(CC1)N
• Canonical SMILES: CN1CCC(CC1)N1CCC(CC1)N
• InChI: InChI=1S/C11H23N3/c1-13-6-4-11(5-7-13)14-8-2-10(12)3-9-14/h10-11H,2-9,12H2,1H3
• InChIKey: YVDWTMIIEURGAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-methylpiperidin-4-yl)piperidin-4-amine
• IUPAC Traditional name: 1-(1-methylpiperidin-4-yl)piperidin-4-amine
• Synonyms: 1-(1-methylpiperidin-4-yl)piperidin-4-amine; 1'-methyl-1,4'-bipiperidin-4-amine

Database IDs

• MDL Number: MFCD11199090
• PubChem SID: 164322117
• PubChem CID: 22964505

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -7.7867703
• LogD (pH = 7.4): -5.031542
• Log P: -0.5718466
• Molar Refractivity: 60.821 cm^3
• Polarizability: 24.131968 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.638

Product Information

• Purity: 95%