N,1-dimethyl-N-[3-(oxolan-2-yl)propyl]piperidin-4-amine

• ChemBase ID: 536100
• Molecular Formular: C14H28N2O
• Molecular Mass: 240.38492
• Monoisotopic Mass: 240.22016353
• SMILES: N1(CCC(CC1)N(CCCC1OCCC1)C)C
• Canonical SMILES: CN1CCC(CC1)N(CCCC1CCCO1)C
• InChI: InChI=1S/C14H28N2O/c1-15-10-7-13(8-11-15)16(2)9-3-5-14-6-4-12-17-14/h13-14H,3-12H2,1-2H3
• InChIKey: ABWYYHOOAAJGIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1-dimethyl-N-[3-(oxolan-2-yl)propyl]piperidin-4-amine
• IUPAC Traditional name: N,1-dimethyl-N-[3-(oxolan-2-yl)propyl]piperidin-4-amine
• Synonyms: N,1-dimethyl-N-[3-(tetrahydro-2-furanyl)propyl]-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.9367077
• LogD (pH = 7.4): -2.0246716
• Log P: 1.212887
• Molar Refractivity: 73.2039 cm^3
• Polarizability: 28.812555 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.96
• LOG S: -0.76
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 5