4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-6-(trifluoromethyl)pyridine

C14H19F3N2O — CID 139360469

IUPAC4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-6-(trifluoromethyl)pyridine
SMILESCOC1CCN(c2cc(C(C)C)nc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H19F3N2O/c1-9(2)12-6-10(7-13(18-12)14(15,16)17)19-5-4-11(8-19)20-3/h6-7,9,11H,4-5,8H2,1-3H3
InChIKeyWGFKHANFEQFAAG-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.45
Rot. Bonds3

About 4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-6-(trifluoromethyl)pyridine

4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-6-(trifluoromethyl)pyridine (PubChem CID 139360469) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-6-(trifluoromethyl)pyridine
PubChem CID139360469
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-6-(trifluoromethyl)pyridine
SMILESCOC1CCN(c2cc(C(C)C)nc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H19F3N2O/c1-9(2)12-6-10(7-13(18-12)14(15,16)17)19-5-4-11(8-19)20-3/h6-7,9,11H,4-5,8H2,1-3H3
InChIKeyWGFKHANFEQFAAG-UHFFFAOYSA-N
XLogP3.45
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 126855030
3-methoxy-1-(3-propan-2-ylphenyl)pyrrolidine
CID 167341236
6-(3-methoxypyrrolidin-1-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 103541738
[2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 103530731
[4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 102972022
N-ethyl-6-(3-methoxypyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 103541756
2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 103534087
(E)-3-[2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
CID 59598130
1-(3-chloro-4-fluorophenyl)-3-methoxypyrrolidine
CID 90124019
2-(3-hydroxybutyl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114396739
1-[2-bromo-4-(3-methoxypyrrolidin-1-yl)phenyl]ethanol
CID 114069873
carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole
CID 161487034

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-6-(trifluoromethyl)pyridine?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-6-(trifluoromethyl)pyridine (CID 139360469) is 4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-6-(trifluoromethyl)pyridine is COC1CCN(c2cc(C(C)C)nc(C(F)(F)F)c2)C1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-6-(trifluoromethyl)pyridine?
The InChIKey is WGFKHANFEQFAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-9(2)12-6-10(7-13(18-12)14(15,16)17)19-5-4-11(8-19)20-3/h6-7,9,11H,4-5,8H2,1-3H3.
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-6-(trifluoromethyl)pyridine?
4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-6-(trifluoromethyl)pyridine has a molecular weight of 288.31 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 139360469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).