[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone

C15H19F2N3O2 — CID 119887859

IUPAC[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone
SMILESO=C(C1COCCN1)N1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C15H19F2N3O2/c16-11-1-2-12(17)14(9-11)19-4-6-20(7-5-19)15(21)13-10-22-8-3-18-13/h1-2,9,13,18H,3-8,10H2
InChIKeyXQRFVIGMBSFKAR-UHFFFAOYSA-N
MW311.33 g/mol
LogP0.60
Rot. Bonds2

About [4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone

[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone (PubChem CID 119887859) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is [4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone
PubChem CID119887859
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone
SMILESO=C(C1COCCN1)N1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C15H19F2N3O2/c16-11-1-2-12(17)14(9-11)19-4-6-20(7-5-19)15(21)13-10-22-8-3-18-13/h1-2,9,13,18H,3-8,10H2
InChIKeyXQRFVIGMBSFKAR-UHFFFAOYSA-N
XLogP0.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone?
The IUPAC name of [4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone (CID 119887859) is [4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone.
What is the SMILES notation for [4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone?
The canonical SMILES for [4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone is O=C(C1COCCN1)N1CCN(c2cc(F)ccc2F)CC1.
What is the InChIKey of [4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone?
The InChIKey is XQRFVIGMBSFKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c16-11-1-2-12(17)14(9-11)19-4-6-20(7-5-19)15(21)13-10-22-8-3-18-13/h1-2,9,13,18H,3-8,10H2.
What are the key properties of [4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone?
[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone has a molecular weight of 311.33 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone is sourced from PubChem (CID 119887859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).