(3-ethoxy-2-pyridinyl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone

C15H19F4N3O2 — CID 71979423

IUPAC(3-ethoxy-2-pyridinyl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
SMILESCCOc1cccnc1C(=O)N1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C15H19F4N3O2/c1-2-24-11-4-3-5-20-12(11)13(23)22-8-6-21(7-9-22)10-15(18,19)14(16)17/h3-5,14H,2,6-10H2,1H3
InChIKeyBIBDXIXGRJAHEP-UHFFFAOYSA-N
MW349.33 g/mol
LogP2.14
Rot. Bonds6

About (3-ethoxy-2-pyridinyl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone

(3-ethoxy-2-pyridinyl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone (PubChem CID 71979423) has the molecular formula C15H19F4N3O2 and a molecular weight of 349.33 g/mol. Its IUPAC name is (3-ethoxy-2-pyridinyl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethoxy-2-pyridinyl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
PubChem CID71979423
Molecular FormulaC15H19F4N3O2
Molecular Weight349.33 g/mol
Exact Mass349.14
IUPAC Name(3-ethoxy-2-pyridinyl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
SMILESCCOc1cccnc1C(=O)N1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C15H19F4N3O2/c1-2-24-11-4-3-5-20-12(11)13(23)22-8-6-21(7-9-22)10-15(18,19)14(16)17/h3-5,14H,2,6-10H2,1H3
InChIKeyBIBDXIXGRJAHEP-UHFFFAOYSA-N
XLogP2.14
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-2-pyridinyl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone?
The IUPAC name of (3-ethoxy-2-pyridinyl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone (CID 71979423) is (3-ethoxy-2-pyridinyl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-ethoxy-2-pyridinyl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-ethoxy-2-pyridinyl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone is CCOc1cccnc1C(=O)N1CCN(CC(F)(F)C(F)F)CC1.
What is the InChIKey of (3-ethoxy-2-pyridinyl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone?
The InChIKey is BIBDXIXGRJAHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4N3O2/c1-2-24-11-4-3-5-20-12(11)13(23)22-8-6-21(7-9-22)10-15(18,19)14(16)17/h3-5,14H,2,6-10H2,1H3.
What are the key properties of (3-ethoxy-2-pyridinyl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone?
(3-ethoxy-2-pyridinyl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone has a molecular weight of 349.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-2-pyridinyl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71979423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).