1-[2-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]piperazine

C15H19FN4O — CID 82869734

IUPAC1-[2-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]piperazine
SMILESCn1ccc(COc2ccc(N3CCNCC3)c(F)c2)n1
InChIInChI=1S/C15H19FN4O/c1-19-7-4-12(18-19)11-21-13-2-3-15(14(16)10-13)20-8-5-17-6-9-20/h2-4,7,10,17H,5-6,8-9,11H2,1H3
InChIKeyMDAHQLFYMHVHME-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.55
Rot. Bonds4

About 1-[2-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]piperazine

1-[2-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]piperazine (PubChem CID 82869734) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[2-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]piperazine.

Molecular Properties

Compound Name1-[2-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]piperazine
PubChem CID82869734
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name1-[2-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]piperazine
SMILESCn1ccc(COc2ccc(N3CCNCC3)c(F)c2)n1
InChIInChI=1S/C15H19FN4O/c1-19-7-4-12(18-19)11-21-13-2-3-15(14(16)10-13)20-8-5-17-6-9-20/h2-4,7,10,17H,5-6,8-9,11H2,1H3
InChIKeyMDAHQLFYMHVHME-UHFFFAOYSA-N
XLogP1.55
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,4-diazepane
CID 82869614
1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine
CID 65201736
2-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenecarbothioamide
CID 82865850
1-[4-(2-ethylsulfonylethoxy)-2-fluorophenyl]piperazine
CID 65202165
1-[2-fluoro-4-(3-methylbutoxy)phenyl]-1,4-diazepane
CID 65201837
4-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine
CID 82865684
1-[2-fluoro-4-(2-methylpentoxy)phenyl]-1,4-diazepane
CID 65202311
3-[(4-bromo-3-methylphenoxy)methyl]-1-methylpyrazole
CID 83133039
N-ethyl-3-fluoro-4-piperazin-1-ylaniline
CID 70934986
1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]piperazine
CID 65201976
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866670

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]piperazine?
The IUPAC name of 1-[2-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]piperazine (CID 82869734) is 1-[2-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]piperazine.
What is the SMILES notation for 1-[2-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]piperazine?
The canonical SMILES for 1-[2-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]piperazine is Cn1ccc(COc2ccc(N3CCNCC3)c(F)c2)n1.
What is the InChIKey of 1-[2-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]piperazine?
The InChIKey is MDAHQLFYMHVHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-19-7-4-12(18-19)11-21-13-2-3-15(14(16)10-13)20-8-5-17-6-9-20/h2-4,7,10,17H,5-6,8-9,11H2,1H3.
What are the key properties of 1-[2-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]piperazine?
1-[2-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]piperazine has a molecular weight of 290.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]piperazine is sourced from PubChem (CID 82869734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).