1-methyl-N-[3-(morpholin-4-yl)propyl]piperidin-4-amine

• ChemBase ID: 120819
• Molecular Formular: C13H27N3O
• Molecular Mass: 241.37298
• Monoisotopic Mass: 241.2154125
• SMILES: N1(CCC(CC1)NCCCN1CCOCC1)C
• Canonical SMILES: CN1CCC(CC1)NCCCN1CCOCC1
• InChI: InChI=1S/C13H27N3O/c1-15-7-3-13(4-8-15)14-5-2-6-16-9-11-17-12-10-16/h13-14H,2-12H2,1H3
• InChIKey: SPBUAXFQMXMLED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-N-[3-(morpholin-4-yl)propyl]piperidin-4-amine
• IUPAC Traditional name: 1-methyl-N-[3-(morpholin-4-yl)propyl]piperidin-4-amine
• Synonyms: 1-methyl-N-(3-morpholinopropyl)piperidin-4-amine

Database IDs

• PubChem SID: 162215172
• PubChem CID: 4712096

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -6.0755816
• LogD (pH = 7.4): -3.6557868
• Log P: -0.30596852
• Molar Refractivity: 72.1035 cm^3
• Polarizability: 28.492567 Å^3
• Polar Surface Area: 27.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true