[dimethylamino-(4-propanoylpiperazin-1-yl)phosphoryl] hypofluorite

C9H19FN3O3P — CID 142572309

IUPAC[dimethylamino-(4-propanoylpiperazin-1-yl)phosphoryl] hypofluorite
SMILESCCC(=O)N1CCN(P(=O)(OF)N(C)C)CC1
InChIInChI=1S/C9H19FN3O3P/c1-4-9(14)12-5-7-13(8-6-12)17(15,16-10)11(2)3/h4-8H2,1-3H3
InChIKeyUNSIMBMGDMVQGE-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.11
Rot. Bonds4

About [dimethylamino-(4-propanoylpiperazin-1-yl)phosphoryl] hypofluorite

[dimethylamino-(4-propanoylpiperazin-1-yl)phosphoryl] hypofluorite (PubChem CID 142572309) has the molecular formula C9H19FN3O3P and a molecular weight of 267.24 g/mol. Its IUPAC name is [dimethylamino-(4-propanoylpiperazin-1-yl)phosphoryl] hypofluorite.

Molecular Properties

Compound Name[dimethylamino-(4-propanoylpiperazin-1-yl)phosphoryl] hypofluorite
PubChem CID142572309
Molecular FormulaC9H19FN3O3P
Molecular Weight267.24 g/mol
Exact Mass267.11
IUPAC Name[dimethylamino-(4-propanoylpiperazin-1-yl)phosphoryl] hypofluorite
SMILESCCC(=O)N1CCN(P(=O)(OF)N(C)C)CC1
InChIInChI=1S/C9H19FN3O3P/c1-4-9(14)12-5-7-13(8-6-12)17(15,16-10)11(2)3/h4-8H2,1-3H3
InChIKeyUNSIMBMGDMVQGE-UHFFFAOYSA-N
XLogP1.11
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-(4-propanoylpiperazin-1-yl)phosphonamidic acid
CID 135182922
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 158896356
1-(4-sulfanylpiperazin-1-yl)propan-1-one
CID 123150582
1-[4-[dimethylamino(propan-2-yloxy)phosphoryl]piperazin-1-yl]-2-ethoxy-2-methylpropan-1-one
CID 155101173
1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 59468982
1-(azepan-1-yl)propan-1-one
CID 3613534
ethene;1-pyrrolidin-1-ylpropan-1-one
CID 158024233
methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
CID 158630764
1-(4-pent-2-ynylpiperazin-1-yl)propan-1-one
CID 170583821
ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369

Frequently Asked Questions

What is the IUPAC name of [dimethylamino-(4-propanoylpiperazin-1-yl)phosphoryl] hypofluorite?
The IUPAC name of [dimethylamino-(4-propanoylpiperazin-1-yl)phosphoryl] hypofluorite (CID 142572309) is [dimethylamino-(4-propanoylpiperazin-1-yl)phosphoryl] hypofluorite.
What is the SMILES notation for [dimethylamino-(4-propanoylpiperazin-1-yl)phosphoryl] hypofluorite?
The canonical SMILES for [dimethylamino-(4-propanoylpiperazin-1-yl)phosphoryl] hypofluorite is CCC(=O)N1CCN(P(=O)(OF)N(C)C)CC1.
What is the InChIKey of [dimethylamino-(4-propanoylpiperazin-1-yl)phosphoryl] hypofluorite?
The InChIKey is UNSIMBMGDMVQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN3O3P/c1-4-9(14)12-5-7-13(8-6-12)17(15,16-10)11(2)3/h4-8H2,1-3H3.
What are the key properties of [dimethylamino-(4-propanoylpiperazin-1-yl)phosphoryl] hypofluorite?
[dimethylamino-(4-propanoylpiperazin-1-yl)phosphoryl] hypofluorite has a molecular weight of 267.24 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino-(4-propanoylpiperazin-1-yl)phosphoryl] hypofluorite is sourced from PubChem (CID 142572309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).