2-fluoro-1-phenyl-2-piperazin-1-ylpropan-1-one

C13H17FN2O — CID 174680761

IUPAC2-fluoro-1-phenyl-2-piperazin-1-ylpropan-1-one
SMILESCC(F)(C(=O)c1ccccc1)N1CCNCC1
InChIInChI=1S/C13H17FN2O/c1-13(14,16-9-7-15-8-10-16)12(17)11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3
InChIKeyRHIWFCVUTTVGLX-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.46
Rot. Bonds3

About 2-fluoro-1-phenyl-2-piperazin-1-ylpropan-1-one

2-fluoro-1-phenyl-2-piperazin-1-ylpropan-1-one (PubChem CID 174680761) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-fluoro-1-phenyl-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-fluoro-1-phenyl-2-piperazin-1-ylpropan-1-one
PubChem CID174680761
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-fluoro-1-phenyl-2-piperazin-1-ylpropan-1-one
SMILESCC(F)(C(=O)c1ccccc1)N1CCNCC1
InChIInChI=1S/C13H17FN2O/c1-13(14,16-9-7-15-8-10-16)12(17)11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3
InChIKeyRHIWFCVUTTVGLX-UHFFFAOYSA-N
XLogP1.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599252
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
2-methyl-3-phenyl-2-piperazin-1-ylpropanoic acid
CID 82239792
2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]propanoic acid
CID 22435906
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
1-(2-fluorophenyl)-3-methyl-3-piperazin-1-ylbutan-1-one
CID 116924095
2-fluoro-2-phenyl-2-piperazin-1-ylacetaldehyde
CID 90420859
benzoic acid;chromium
CID 139063467
2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 61054698
2-benzyl-2-piperazin-1-ylbutanoic acid
CID 79008570
2,2-dimethyl-1-phenylpropan-1-one;1-(4-fluorophenyl)-2,2-dimethylpropan-1-one
CID 158594816
2-methyl-2-piperazin-1-yl-1-(4-piperazin-1-ylphenyl)pent-4-en-1-one
CID 67505224

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-phenyl-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-fluoro-1-phenyl-2-piperazin-1-ylpropan-1-one (CID 174680761) is 2-fluoro-1-phenyl-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-fluoro-1-phenyl-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-fluoro-1-phenyl-2-piperazin-1-ylpropan-1-one is CC(F)(C(=O)c1ccccc1)N1CCNCC1.
What is the InChIKey of 2-fluoro-1-phenyl-2-piperazin-1-ylpropan-1-one?
The InChIKey is RHIWFCVUTTVGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-13(14,16-9-7-15-8-10-16)12(17)11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3.
What are the key properties of 2-fluoro-1-phenyl-2-piperazin-1-ylpropan-1-one?
2-fluoro-1-phenyl-2-piperazin-1-ylpropan-1-one has a molecular weight of 236.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-phenyl-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 174680761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).