(4-pyridin-2-ylpiperazin-1-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone

C19H20F3N3O2 — CID 1091772

IUPAC(4-pyridin-2-ylpiperazin-1-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
SMILESO=C(c1ccc(COCC(F)(F)F)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)14-27-13-15-4-6-16(7-5-15)18(26)25-11-9-24(10-12-25)17-3-1-2-8-23-17/h1-8H,9-14H2
InChIKeyLTGDDDZXSMICGX-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.12
Rot. Bonds5

About (4-pyridin-2-ylpiperazin-1-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone

(4-pyridin-2-ylpiperazin-1-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone (PubChem CID 1091772) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is (4-pyridin-2-ylpiperazin-1-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-pyridin-2-ylpiperazin-1-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
PubChem CID1091772
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name(4-pyridin-2-ylpiperazin-1-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
SMILESO=C(c1ccc(COCC(F)(F)F)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)14-27-13-15-4-6-16(7-5-15)18(26)25-11-9-24(10-12-25)17-3-1-2-8-23-17/h1-8H,9-14H2
InChIKeyLTGDDDZXSMICGX-UHFFFAOYSA-N
XLogP3.12
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone?
The IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone (CID 1091772) is (4-pyridin-2-ylpiperazin-1-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone.
What is the SMILES notation for (4-pyridin-2-ylpiperazin-1-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone?
The canonical SMILES for (4-pyridin-2-ylpiperazin-1-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone is O=C(c1ccc(COCC(F)(F)F)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (4-pyridin-2-ylpiperazin-1-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone?
The InChIKey is LTGDDDZXSMICGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)14-27-13-15-4-6-16(7-5-15)18(26)25-11-9-24(10-12-25)17-3-1-2-8-23-17/h1-8H,9-14H2.
What are the key properties of (4-pyridin-2-ylpiperazin-1-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone?
(4-pyridin-2-ylpiperazin-1-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone has a molecular weight of 379.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-ylpiperazin-1-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone is sourced from PubChem (CID 1091772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).