2-(3-fluoro-4-piperazin-1-ylphenyl)oxazinane

C14H20FN3O — CID 142959102

IUPAC2-(3-fluoro-4-piperazin-1-ylphenyl)oxazinane
SMILESFc1cc(N2CCCCO2)ccc1N1CCNCC1
InChIInChI=1S/C14H20FN3O/c15-13-11-12(18-7-1-2-10-19-18)3-4-14(13)17-8-5-16-6-9-17/h3-4,11,16H,1-2,5-10H2
InChIKeyRTZKGCBNZKOOOU-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.77
Rot. Bonds2

About 2-(3-fluoro-4-piperazin-1-ylphenyl)oxazinane

2-(3-fluoro-4-piperazin-1-ylphenyl)oxazinane (PubChem CID 142959102) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(3-fluoro-4-piperazin-1-ylphenyl)oxazinane.

Molecular Properties

Compound Name2-(3-fluoro-4-piperazin-1-ylphenyl)oxazinane
PubChem CID142959102
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-(3-fluoro-4-piperazin-1-ylphenyl)oxazinane
SMILESFc1cc(N2CCCCO2)ccc1N1CCNCC1
InChIInChI=1S/C14H20FN3O/c15-13-11-12(18-7-1-2-10-19-18)3-4-14(13)17-8-5-16-6-9-17/h3-4,11,16H,1-2,5-10H2
InChIKeyRTZKGCBNZKOOOU-UHFFFAOYSA-N
XLogP1.77
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 20785452
1-(2,4-difluorophenyl)piperazine;pyrrolidine
CID 143374840
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one
CID 20785321
4-(3-fluoro-4-piperazin-1-ylphenyl)-1,4-thiazinane 1-oxide
CID 135346960
1-(3,4-difluorophenyl)piperazine
CID 2783122
(3-fluoro-4-piperazin-1-ylphenyl)-methylsulfanium
CID 142440447
5-(aminomethyl)-3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 22509418
(5S)-5-(aminomethyl)-3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one;formaldehyde
CID 91132691
1-(2-fluoro-4-methylsulfinylphenyl)piperazine
CID 135346718
2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde
CID 87765798
N-ethyl-3-fluoro-4-piperazin-1-ylaniline
CID 70934986

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-piperazin-1-ylphenyl)oxazinane?
The IUPAC name of 2-(3-fluoro-4-piperazin-1-ylphenyl)oxazinane (CID 142959102) is 2-(3-fluoro-4-piperazin-1-ylphenyl)oxazinane.
What is the SMILES notation for 2-(3-fluoro-4-piperazin-1-ylphenyl)oxazinane?
The canonical SMILES for 2-(3-fluoro-4-piperazin-1-ylphenyl)oxazinane is Fc1cc(N2CCCCO2)ccc1N1CCNCC1.
What is the InChIKey of 2-(3-fluoro-4-piperazin-1-ylphenyl)oxazinane?
The InChIKey is RTZKGCBNZKOOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-13-11-12(18-7-1-2-10-19-18)3-4-14(13)17-8-5-16-6-9-17/h3-4,11,16H,1-2,5-10H2.
What are the key properties of 2-(3-fluoro-4-piperazin-1-ylphenyl)oxazinane?
2-(3-fluoro-4-piperazin-1-ylphenyl)oxazinane has a molecular weight of 265.33 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-piperazin-1-ylphenyl)oxazinane is sourced from PubChem (CID 142959102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).