6-[1-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C19H21F3N4O3 — CID 146287203

IUPAC6-[1-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC(c1ccc2c(n1)OCCO2)N1CCC(Oc2cnc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H21F3N4O3/c1-12(14-2-3-15-18(25-14)28-9-8-27-15)26-6-4-13(5-7-26)29-17-11-23-16(10-24-17)19(20,21)22/h2-3,10-13H,4-9H2,1H3
InChIKeyPGYREMXBAPAMQS-UHFFFAOYSA-N
MW410.40 g/mol
LogP3.27
Rot. Bonds4

About 6-[1-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

6-[1-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 146287203) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 6-[1-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name6-[1-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID146287203
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Name6-[1-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC(c1ccc2c(n1)OCCO2)N1CCC(Oc2cnc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H21F3N4O3/c1-12(14-2-3-15-18(25-14)28-9-8-27-15)26-6-4-13(5-7-26)29-17-11-23-16(10-24-17)19(20,21)22/h2-3,10-13H,4-9H2,1H3
InChIKeyPGYREMXBAPAMQS-UHFFFAOYSA-N
XLogP3.27
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[1-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 6-[1-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 146287203) is 6-[1-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 6-[1-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 6-[1-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is CC(c1ccc2c(n1)OCCO2)N1CCC(Oc2cnc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 6-[1-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is PGYREMXBAPAMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-12(14-2-3-15-18(25-14)28-9-8-27-15)26-6-4-13(5-7-26)29-17-11-23-16(10-24-17)19(20,21)22/h2-3,10-13H,4-9H2,1H3.
What are the key properties of 6-[1-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
6-[1-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 410.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 146287203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).