1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine

C16H17FN4O3 — CID 133315732

IUPAC1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine
SMILESCOc1cc(F)ccc1N1CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C16H17FN4O3/c1-24-15-10-12(17)2-4-14(15)19-6-8-20(9-7-19)16-5-3-13(11-18-16)21(22)23/h2-5,10-11H,6-9H2,1H3
InChIKeyGIZNTTDULWYLQN-UHFFFAOYSA-N
MW332.34 g/mol
LogP2.46
Rot. Bonds4

About 1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine

1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine (PubChem CID 133315732) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine
PubChem CID133315732
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine
SMILESCOc1cc(F)ccc1N1CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C16H17FN4O3/c1-24-15-10-12(17)2-4-14(15)19-6-8-20(9-7-19)16-5-3-13(11-18-16)21(22)23/h2-5,10-11H,6-9H2,1H3
InChIKeyGIZNTTDULWYLQN-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-(3-nitro-2-pyridinyl)piperazine
CID 133315780
1-(2,4-dimethylphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 3713602
1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine
CID 133315766
1-ethyl-4-(5-nitro-2-pyridinyl)piperazine
CID 2848980
2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline
CID 133315726
4-(3,5-dimethoxyphenyl)-1-(5-nitro-2-pyridinyl)piperidin-4-ol
CID 133362520
4,4-dimethyl-1-(5-nitro-2-pyridinyl)azepane
CID 133323311
2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]propan-1-amine
CID 82143786
1-(3-methylphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 27306784
6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133271157
4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine
CID 136568988
[1-(5-nitro-2-pyridinyl)piperidin-4-yl] propanoate
CID 91212834

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine (CID 133315732) is 1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine is COc1cc(F)ccc1N1CCN(c2ccc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine?
The InChIKey is GIZNTTDULWYLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-24-15-10-12(17)2-4-14(15)19-6-8-20(9-7-19)16-5-3-13(11-18-16)21(22)23/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine?
1-(4-fluoro-2-methoxyphenyl)-4-(5-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-(5-nitro-2-pyridinyl)piperazine is sourced from PubChem (CID 133315732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).