2-[4-(1-fluoro-3-phenylprop-2-enylidene)piperidin-1-yl]-6-methyl-3-nitropyridine

C20H20FN3O2 — CID 91284294

IUPAC2-[4-(1-fluoro-3-phenylprop-2-enylidene)piperidin-1-yl]-6-methyl-3-nitropyridine
SMILESCc1ccc([N+](=O)[O-])c(N2CCC(=C(F)C=Cc3ccccc3)CC2)n1
InChIInChI=1S/C20H20FN3O2/c1-15-7-10-19(24(25)26)20(22-15)23-13-11-17(12-14-23)18(21)9-8-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKeyGOHXQRPOESLUCF-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.84
Rot. Bonds4

About 2-[4-(1-fluoro-3-phenylprop-2-enylidene)piperidin-1-yl]-6-methyl-3-nitropyridine

2-[4-(1-fluoro-3-phenylprop-2-enylidene)piperidin-1-yl]-6-methyl-3-nitropyridine (PubChem CID 91284294) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[4-(1-fluoro-3-phenylprop-2-enylidene)piperidin-1-yl]-6-methyl-3-nitropyridine.

Molecular Properties

Compound Name2-[4-(1-fluoro-3-phenylprop-2-enylidene)piperidin-1-yl]-6-methyl-3-nitropyridine
PubChem CID91284294
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name2-[4-(1-fluoro-3-phenylprop-2-enylidene)piperidin-1-yl]-6-methyl-3-nitropyridine
SMILESCc1ccc([N+](=O)[O-])c(N2CCC(=C(F)C=Cc3ccccc3)CC2)n1
InChIInChI=1S/C20H20FN3O2/c1-15-7-10-19(24(25)26)20(22-15)23-13-11-17(12-14-23)18(21)9-8-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKeyGOHXQRPOESLUCF-UHFFFAOYSA-N
XLogP4.84
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[3-(4-chlorophenyl)prop-2-enylidene]piperidin-1-yl]-6-methyl-3-nitropyridine
CID 75238430
6-[(E)-3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]prop-1-enyl]-1H-pyridin-2-one
CID 87562349
2-[4-[3-(6-methoxy-2-pyridinyl)prop-2-enylidene]piperidin-1-yl]-6-methyl-3-nitropyridine
CID 75238427
[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-yl]methanamine
CID 81135913
1-[3-[3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]prop-1-ynyl]phenyl]ethanone
CID 87550106
3-[[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]methyl]-5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 51000586
1-benzyl-4-[(Z)-1-fluoro-3-phenylprop-2-enylidene]piperidine
CID 71505250
3,5-dimethyl-1-(6-methyl-3-nitro-2-pyridinyl)piperazine
CID 81132745
2-[4-[1-fluoro-3-(6-methyl-2-pyridinyl)prop-2-ynyl]piperidin-1-yl]-6-methyl-3-nitropyridine
CID 68724880
[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 81137665
2-[(4E)-3,3-dimethyl-4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidin-1-yl]-6-methyl-3-nitropyridine
CID 137371989
3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-3-yl]propanoic acid
CID 81141690

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-fluoro-3-phenylprop-2-enylidene)piperidin-1-yl]-6-methyl-3-nitropyridine?
The IUPAC name of 2-[4-(1-fluoro-3-phenylprop-2-enylidene)piperidin-1-yl]-6-methyl-3-nitropyridine (CID 91284294) is 2-[4-(1-fluoro-3-phenylprop-2-enylidene)piperidin-1-yl]-6-methyl-3-nitropyridine.
What is the SMILES notation for 2-[4-(1-fluoro-3-phenylprop-2-enylidene)piperidin-1-yl]-6-methyl-3-nitropyridine?
The canonical SMILES for 2-[4-(1-fluoro-3-phenylprop-2-enylidene)piperidin-1-yl]-6-methyl-3-nitropyridine is Cc1ccc([N+](=O)[O-])c(N2CCC(=C(F)C=Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-[4-(1-fluoro-3-phenylprop-2-enylidene)piperidin-1-yl]-6-methyl-3-nitropyridine?
The InChIKey is GOHXQRPOESLUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-15-7-10-19(24(25)26)20(22-15)23-13-11-17(12-14-23)18(21)9-8-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3.
What are the key properties of 2-[4-(1-fluoro-3-phenylprop-2-enylidene)piperidin-1-yl]-6-methyl-3-nitropyridine?
2-[4-(1-fluoro-3-phenylprop-2-enylidene)piperidin-1-yl]-6-methyl-3-nitropyridine has a molecular weight of 353.40 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-fluoro-3-phenylprop-2-enylidene)piperidin-1-yl]-6-methyl-3-nitropyridine is sourced from PubChem (CID 91284294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).