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

C18H25F2N3O2 — CID 119894372

IUPAC[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-morpholin-3-ylmethanone
SMILESCCC(c1ccc(F)cc1F)N1CCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C18H25F2N3O2/c1-2-17(14-4-3-13(19)11-15(14)20)22-6-8-23(9-7-22)18(24)16-12-25-10-5-21-16/h3-4,11,16-17,21H,2,5-10,12H2,1H3
InChIKeyIOWSBRFJTGLYQQ-UHFFFAOYSA-N
MW353.41 g/mol
LogP1.55
Rot. Bonds4

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

[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-morpholin-3-ylmethanone (PubChem CID 119894372) has the molecular formula C18H25F2N3O2 and a molecular weight of 353.41 g/mol. Its IUPAC name is [4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-morpholin-3-ylmethanone.

Molecular Properties

Compound Name[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-morpholin-3-ylmethanone
PubChem CID119894372
Molecular FormulaC18H25F2N3O2
Molecular Weight353.41 g/mol
Exact Mass353.19
IUPAC Name[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-morpholin-3-ylmethanone
SMILESCCC(c1ccc(F)cc1F)N1CCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C18H25F2N3O2/c1-2-17(14-4-3-13(19)11-15(14)20)22-6-8-23(9-7-22)18(24)16-12-25-10-5-21-16/h3-4,11,16-17,21H,2,5-10,12H2,1H3
InChIKeyIOWSBRFJTGLYQQ-UHFFFAOYSA-N
XLogP1.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-morpholin-3-ylmethanone?
The IUPAC name of [4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-morpholin-3-ylmethanone (CID 119894372) is [4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-morpholin-3-ylmethanone.
What is the SMILES notation for [4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-morpholin-3-ylmethanone?
The canonical SMILES for [4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-morpholin-3-ylmethanone is CCC(c1ccc(F)cc1F)N1CCN(C(=O)C2COCCN2)CC1.
What is the InChIKey of [4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-morpholin-3-ylmethanone?
The InChIKey is IOWSBRFJTGLYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O2/c1-2-17(14-4-3-13(19)11-15(14)20)22-6-8-23(9-7-22)18(24)16-12-25-10-5-21-16/h3-4,11,16-17,21H,2,5-10,12H2,1H3.
What are the key properties of [4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-morpholin-3-ylmethanone?
[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-morpholin-3-ylmethanone has a molecular weight of 353.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-morpholin-3-ylmethanone is sourced from PubChem (CID 119894372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).