1-methyl-3-(3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)-2H-pyridine

C15H23F3N2O — CID 134288437

IUPAC1-methyl-3-(3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)-2H-pyridine
SMILESCN1CC(CCCN2CCCC2)=CC=C1OCC(F)(F)F
InChIInChI=1S/C15H23F3N2O/c1-19-11-13(5-4-10-20-8-2-3-9-20)6-7-14(19)21-12-15(16,17)18/h6-7H,2-5,8-12H2,1H3
InChIKeyDYJHHBUUJXUXAH-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.15
Rot. Bonds6

About 1-methyl-3-(3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)-2H-pyridine

1-methyl-3-(3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)-2H-pyridine (PubChem CID 134288437) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-methyl-3-(3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)-2H-pyridine.

Molecular Properties

Compound Name1-methyl-3-(3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)-2H-pyridine
PubChem CID134288437
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name1-methyl-3-(3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)-2H-pyridine
SMILESCN1CC(CCCN2CCCC2)=CC=C1OCC(F)(F)F
InChIInChI=1S/C15H23F3N2O/c1-19-11-13(5-4-10-20-8-2-3-9-20)6-7-14(19)21-12-15(16,17)18/h6-7H,2-5,8-12H2,1H3
InChIKeyDYJHHBUUJXUXAH-UHFFFAOYSA-N
XLogP3.15
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1E,3E)-4-methyl-7-pyrrolidin-1-yl-1-(2,2,2-trifluoroethoxy)hepta-1,3-dien-1-amine
CID 134288594
6-cyclopropyloxy-1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2H-pyridine
CID 134288593

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)-2H-pyridine?
The IUPAC name of 1-methyl-3-(3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)-2H-pyridine (CID 134288437) is 1-methyl-3-(3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)-2H-pyridine.
What is the SMILES notation for 1-methyl-3-(3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)-2H-pyridine?
The canonical SMILES for 1-methyl-3-(3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)-2H-pyridine is CN1CC(CCCN2CCCC2)=CC=C1OCC(F)(F)F.
What is the InChIKey of 1-methyl-3-(3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)-2H-pyridine?
The InChIKey is DYJHHBUUJXUXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-19-11-13(5-4-10-20-8-2-3-9-20)6-7-14(19)21-12-15(16,17)18/h6-7H,2-5,8-12H2,1H3.
What are the key properties of 1-methyl-3-(3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)-2H-pyridine?
1-methyl-3-(3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)-2H-pyridine has a molecular weight of 304.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)-2H-pyridine is sourced from PubChem (CID 134288437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).