2-[4-(piperidin-1-yl)piperidin-1-yl]ethan-1-amine

• ChemBase ID: 35665
• Molecular Formular: C12H25N3
• Molecular Mass: 211.347
• Monoisotopic Mass: 211.20484782
• SMILES: N1(C2CCN(CC2)CCN)CCCCC1
• Canonical SMILES: NCCN1CCC(CC1)N1CCCCC1
• InChI: InChI=1S/C12H25N3/c13-6-11-14-9-4-12(5-10-14)15-7-2-1-3-8-15/h12H,1-11,13H2
• InChIKey: VWRTWSXDVXJWDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(piperidin-1-yl)piperidin-1-yl]ethan-1-amine
• IUPAC Traditional name: 2-[4-(piperidin-1-yl)piperidin-1-yl]ethanamine
• Synonyms: 2-(1,4'-Bipiperidin-1'-yl)ethanamine

Database IDs

• MDL Number: MFCD12027332
• PubChem SID: 160998972
• PubChem CID: 22945702

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.2321305
• LogD (pH = 7.4): -4.4768076
• Log P: 0.2703579
• Molar Refractivity: 65.531 cm^3
• Polarizability: 25.977915 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false