2-phenyl-2-piperazin-1-ylacetyl fluoride

C12H15FN2O — CID 90420857

IUPAC2-phenyl-2-piperazin-1-ylacetyl fluoride
SMILESO=C(F)C(c1ccccc1)N1CCNCC1
InChIInChI=1S/C12H15FN2O/c13-12(16)11(10-4-2-1-3-5-10)15-8-6-14-7-9-15/h1-5,11,14H,6-9H2
InChIKeyDCTAGTXKNFMFGR-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.13
Rot. Bonds3

About 2-phenyl-2-piperazin-1-ylacetyl fluoride

2-phenyl-2-piperazin-1-ylacetyl fluoride (PubChem CID 90420857) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-phenyl-2-piperazin-1-ylacetyl fluoride.

Molecular Properties

Compound Name2-phenyl-2-piperazin-1-ylacetyl fluoride
PubChem CID90420857
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-phenyl-2-piperazin-1-ylacetyl fluoride
SMILESO=C(F)C(c1ccccc1)N1CCNCC1
InChIInChI=1S/C12H15FN2O/c13-12(16)11(10-4-2-1-3-5-10)15-8-6-14-7-9-15/h1-5,11,14H,6-9H2
InChIKeyDCTAGTXKNFMFGR-UHFFFAOYSA-N
XLogP1.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
2-(1,4-diazepan-1-yl)-2-phenylacetic acid
CID 54890245
2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetyl fluoride
CID 89077825
phenyl(piperazin-1-yl)methanol
CID 23037926
2-(4-bromophenyl)-2-piperazin-1-ylacetic acid
CID 11145832
(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
CID 93409129
2-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetic acid
CID 54890531
1-[bromo(phenyl)methyl]piperazine
CID 174618409
1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898
3-phenyl-2-piperazin-1-ylbutanamide
CID 61307843
2-(4-acetylphenyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid
CID 118413005

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-piperazin-1-ylacetyl fluoride?
The IUPAC name of 2-phenyl-2-piperazin-1-ylacetyl fluoride (CID 90420857) is 2-phenyl-2-piperazin-1-ylacetyl fluoride.
What is the SMILES notation for 2-phenyl-2-piperazin-1-ylacetyl fluoride?
The canonical SMILES for 2-phenyl-2-piperazin-1-ylacetyl fluoride is O=C(F)C(c1ccccc1)N1CCNCC1.
What is the InChIKey of 2-phenyl-2-piperazin-1-ylacetyl fluoride?
The InChIKey is DCTAGTXKNFMFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-12(16)11(10-4-2-1-3-5-10)15-8-6-14-7-9-15/h1-5,11,14H,6-9H2.
What are the key properties of 2-phenyl-2-piperazin-1-ylacetyl fluoride?
2-phenyl-2-piperazin-1-ylacetyl fluoride has a molecular weight of 222.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-piperazin-1-ylacetyl fluoride is sourced from PubChem (CID 90420857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).