1-(4-fluoro-2-methoxyphenyl)-4-(3-nitro-2-pyridinyl)piperazine

C16H17FN4O3 — CID 133315780

IUPAC1-(4-fluoro-2-methoxyphenyl)-4-(3-nitro-2-pyridinyl)piperazine
SMILESCOc1cc(F)ccc1N1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C16H17FN4O3/c1-24-15-11-12(17)4-5-13(15)19-7-9-20(10-8-19)16-14(21(22)23)3-2-6-18-16/h2-6,11H,7-10H2,1H3
InChIKeyWZEUEPPRNUKIQL-UHFFFAOYSA-N
MW332.34 g/mol
LogP2.46
Rot. Bonds4

About 1-(4-fluoro-2-methoxyphenyl)-4-(3-nitro-2-pyridinyl)piperazine

1-(4-fluoro-2-methoxyphenyl)-4-(3-nitro-2-pyridinyl)piperazine (PubChem CID 133315780) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-4-(3-nitro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-4-(3-nitro-2-pyridinyl)piperazine
PubChem CID133315780
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-4-(3-nitro-2-pyridinyl)piperazine
SMILESCOc1cc(F)ccc1N1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C16H17FN4O3/c1-24-15-11-12(17)4-5-13(15)19-7-9-20(10-8-19)16-14(21(22)23)3-2-6-18-16/h2-6,11H,7-10H2,1H3
InChIKeyWZEUEPPRNUKIQL-UHFFFAOYSA-N
XLogP2.46
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 133315732
1-[3-fluoro-4-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
CID 26447870
1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine
CID 133315766
1-(2,4-difluorophenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine
CID 8567614
methyl-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]borinic acid
CID 20763912
1-(4-methoxyphenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine
CID 9111511
3-(4-fluorophenyl)-1-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]prop-2-yn-1-one
CID 142827397
1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 165448313
3-(3-nitro-2-pyridinyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 22003999
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-3-nitropyridine
CID 47458840
1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(2-nitrophenyl)piperazin-1-ium
CID 9340195
ethane;1-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethanone;propane
CID 142827395

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-4-(3-nitro-2-pyridinyl)piperazine?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-4-(3-nitro-2-pyridinyl)piperazine (CID 133315780) is 1-(4-fluoro-2-methoxyphenyl)-4-(3-nitro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-4-(3-nitro-2-pyridinyl)piperazine?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-4-(3-nitro-2-pyridinyl)piperazine is COc1cc(F)ccc1N1CCN(c2ncccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-4-(3-nitro-2-pyridinyl)piperazine?
The InChIKey is WZEUEPPRNUKIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-24-15-11-12(17)4-5-13(15)19-7-9-20(10-8-19)16-14(21(22)23)3-2-6-18-16/h2-6,11H,7-10H2,1H3.
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-4-(3-nitro-2-pyridinyl)piperazine?
1-(4-fluoro-2-methoxyphenyl)-4-(3-nitro-2-pyridinyl)piperazine has a molecular weight of 332.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)-4-(3-nitro-2-pyridinyl)piperazine is sourced from PubChem (CID 133315780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).