1,2-dimethylpiperidin-4-ol;3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine

C17H26F3N3O — CID 155721068

IUPAC1,2-dimethylpiperidin-4-ol;3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine
SMILESCC1CC(O)CCN1C.FC(F)(F)c1ncccc1N1CCCC1
InChIInChI=1S/C10H11F3N2.C7H15NO/c11-10(12,13)9-8(4-3-5-14-9)15-6-1-2-7-15;1-6-5-7(9)3-4-8(6)2/h3-5H,1-2,6-7H2;6-7,9H,3-5H2,1-2H3
InChIKeyJDHDGTKJQQBYCY-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.16
Rot. Bonds1

About 1,2-dimethylpiperidin-4-ol;3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine

1,2-dimethylpiperidin-4-ol;3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine (PubChem CID 155721068) has the molecular formula C17H26F3N3O and a molecular weight of 345.41 g/mol. Its IUPAC name is 1,2-dimethylpiperidin-4-ol;3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1,2-dimethylpiperidin-4-ol;3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine
PubChem CID155721068
Molecular FormulaC17H26F3N3O
Molecular Weight345.41 g/mol
Exact Mass345.20
IUPAC Name1,2-dimethylpiperidin-4-ol;3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine
SMILESCC1CC(O)CCN1C.FC(F)(F)c1ncccc1N1CCCC1
InChIInChI=1S/C10H11F3N2.C7H15NO/c11-10(12,13)9-8(4-3-5-14-9)15-6-1-2-7-15;1-6-5-7(9)3-4-8(6)2/h3-5H,1-2,6-7H2;6-7,9H,3-5H2,1-2H3
InChIKeyJDHDGTKJQQBYCY-UHFFFAOYSA-N
XLogP3.16
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpiperidin-4-ol;3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 1,2-dimethylpiperidin-4-ol;3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine (CID 155721068) is 1,2-dimethylpiperidin-4-ol;3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 1,2-dimethylpiperidin-4-ol;3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 1,2-dimethylpiperidin-4-ol;3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine is CC1CC(O)CCN1C.FC(F)(F)c1ncccc1N1CCCC1.
What is the InChIKey of 1,2-dimethylpiperidin-4-ol;3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine?
The InChIKey is JDHDGTKJQQBYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2.C7H15NO/c11-10(12,13)9-8(4-3-5-14-9)15-6-1-2-7-15;1-6-5-7(9)3-4-8(6)2/h3-5H,1-2,6-7H2;6-7,9H,3-5H2,1-2H3.
What are the key properties of 1,2-dimethylpiperidin-4-ol;3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine?
1,2-dimethylpiperidin-4-ol;3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine has a molecular weight of 345.41 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpiperidin-4-ol;3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 155721068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).