1-(4-fluoro-5-methoxy-2-nitrophenyl)-4-pyridin-4-ylpiperazine

C16H17FN4O3 — CID 75426080

IUPAC1-(4-fluoro-5-methoxy-2-nitrophenyl)-4-pyridin-4-ylpiperazine
SMILESCOc1cc(N2CCN(c3ccncc3)CC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C16H17FN4O3/c1-24-16-11-14(15(21(22)23)10-13(16)17)20-8-6-19(7-9-20)12-2-4-18-5-3-12/h2-5,10-11H,6-9H2,1H3
InChIKeySULYCDQOUSTEJE-UHFFFAOYSA-N
MW332.34 g/mol
LogP2.46
Rot. Bonds4

About 1-(4-fluoro-5-methoxy-2-nitrophenyl)-4-pyridin-4-ylpiperazine

1-(4-fluoro-5-methoxy-2-nitrophenyl)-4-pyridin-4-ylpiperazine (PubChem CID 75426080) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 1-(4-fluoro-5-methoxy-2-nitrophenyl)-4-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-(4-fluoro-5-methoxy-2-nitrophenyl)-4-pyridin-4-ylpiperazine
PubChem CID75426080
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name1-(4-fluoro-5-methoxy-2-nitrophenyl)-4-pyridin-4-ylpiperazine
SMILESCOc1cc(N2CCN(c3ccncc3)CC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C16H17FN4O3/c1-24-16-11-14(15(21(22)23)10-13(16)17)20-8-6-19(7-9-20)12-2-4-18-5-3-12/h2-5,10-11H,6-9H2,1H3
InChIKeySULYCDQOUSTEJE-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

2-[4-(4-fluoro-5-methoxy-2-nitrophenyl)piperazin-1-yl]benzonitrile
CID 133360839
1-[4-(4-fluoro-5-methoxy-2-nitrophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 133373587
1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 63598851
2-[4-(4-fluoro-5-methoxy-2-nitrophenyl)piperazin-1-yl]-4,5-dimethyl-1,3-thiazole
CID 133391156
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63597808
[4-(4-fluoro-5-methoxy-2-nitrophenyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 71970970
(2-chloro-4-fluorophenyl)-[4-(4-fluoro-5-methoxy-2-nitrophenyl)piperazin-1-yl]methanone
CID 133360595
1-(4,5-dimethoxy-2-nitrophenyl)pyrrolidine
CID 616606
(4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone
CID 133360025
(2-chlorophenyl)-[4-(4-fluoro-5-methoxy-2-nitrophenyl)-1,4-diazepan-1-yl]methanone
CID 133360093
(2,5-dimethylfuran-3-yl)-[4-(4-fluoro-5-methoxy-2-nitrophenyl)piperazin-1-yl]methanone
CID 133360170
1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide
CID 133373091

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-5-methoxy-2-nitrophenyl)-4-pyridin-4-ylpiperazine?
The IUPAC name of 1-(4-fluoro-5-methoxy-2-nitrophenyl)-4-pyridin-4-ylpiperazine (CID 75426080) is 1-(4-fluoro-5-methoxy-2-nitrophenyl)-4-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-(4-fluoro-5-methoxy-2-nitrophenyl)-4-pyridin-4-ylpiperazine?
The canonical SMILES for 1-(4-fluoro-5-methoxy-2-nitrophenyl)-4-pyridin-4-ylpiperazine is COc1cc(N2CCN(c3ccncc3)CC2)c([N+](=O)[O-])cc1F.
What is the InChIKey of 1-(4-fluoro-5-methoxy-2-nitrophenyl)-4-pyridin-4-ylpiperazine?
The InChIKey is SULYCDQOUSTEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-24-16-11-14(15(21(22)23)10-13(16)17)20-8-6-19(7-9-20)12-2-4-18-5-3-12/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-(4-fluoro-5-methoxy-2-nitrophenyl)-4-pyridin-4-ylpiperazine?
1-(4-fluoro-5-methoxy-2-nitrophenyl)-4-pyridin-4-ylpiperazine 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-5-methoxy-2-nitrophenyl)-4-pyridin-4-ylpiperazine is sourced from PubChem (CID 75426080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).