N-(prop-2-en-1-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine

• ChemBase ID: 403223
• Molecular Formular: C14H21N3
• Molecular Mass: 231.33664
• Monoisotopic Mass: 231.17354769
• SMILES: N(Cc1ncccc1)(C1CNCCC1)CC=C
• Canonical SMILES: C=CCN(C1CCCNC1)Cc1ccccn1
• InChI: InChI=1S/C14H21N3/c1-2-10-17(14-7-5-8-15-11-14)12-13-6-3-4-9-16-13/h2-4,6,9,14-15H,1,5,7-8,10-12H2
• InChIKey: KMUSAMPTPVJAAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(prop-2-en-1-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine
• IUPAC Traditional name: N-(prop-2-en-1-yl)-N-(pyridin-2-ylmethyl)piperidin-3-amine
• Synonyms: N-allyl-N-(pyridin-2-ylmethyl)piperidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7250366
• LogD (pH = 7.4): -0.8186184
• Log P: 1.610853
• Molar Refractivity: 71.0199 cm^3
• Polarizability: 28.121977 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.65
• LOG S: 0.01
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 5