1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone

C18H19F2N3O2 — CID 24763283

IUPAC1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone
SMILESO=C(COCc1ccncc1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H19F2N3O2/c19-15-1-2-17(16(20)11-15)22-7-9-23(10-8-22)18(24)13-25-12-14-3-5-21-6-4-14/h1-6,11H,7-10,12-13H2
InChIKeyRVAMMKWKFLINED-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.23
Rot. Bonds5

About 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone

1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone (PubChem CID 24763283) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone
PubChem CID24763283
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone
SMILESO=C(COCc1ccncc1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H19F2N3O2/c19-15-1-2-17(16(20)11-15)22-7-9-23(10-8-22)18(24)13-25-12-14-3-5-21-6-4-14/h1-6,11H,7-10,12-13H2
InChIKeyRVAMMKWKFLINED-UHFFFAOYSA-N
XLogP2.23
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone?
The IUPAC name of 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone (CID 24763283) is 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone.
What is the SMILES notation for 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone?
The canonical SMILES for 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone is O=C(COCc1ccncc1)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone?
The InChIKey is RVAMMKWKFLINED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c19-15-1-2-17(16(20)11-15)22-7-9-23(10-8-22)18(24)13-25-12-14-3-5-21-6-4-14/h1-6,11H,7-10,12-13H2.
What are the key properties of 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone?
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone has a molecular weight of 347.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(pyridin-4-ylmethoxy)ethanone is sourced from PubChem (CID 24763283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).