1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-(1H-imidazol-2-yl)piperidine

C15H17FN4O3 — CID 133448393

IUPAC1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-(1H-imidazol-2-yl)piperidine
SMILESCOc1cc(N2CCCC(c3ncc[nH]3)C2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C15H17FN4O3/c1-23-14-8-12(13(20(21)22)7-11(14)16)19-6-2-3-10(9-19)15-17-4-5-18-15/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,17,18)
InChIKeyDWNHSAWRXOUKCA-UHFFFAOYSA-N
MW320.32 g/mol
LogP2.85
Rot. Bonds4

About 1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-(1H-imidazol-2-yl)piperidine

1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-(1H-imidazol-2-yl)piperidine (PubChem CID 133448393) has the molecular formula C15H17FN4O3 and a molecular weight of 320.32 g/mol. Its IUPAC name is 1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-(1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-(1H-imidazol-2-yl)piperidine
PubChem CID133448393
Molecular FormulaC15H17FN4O3
Molecular Weight320.32 g/mol
Exact Mass320.13
IUPAC Name1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-(1H-imidazol-2-yl)piperidine
SMILESCOc1cc(N2CCCC(c3ncc[nH]3)C2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C15H17FN4O3/c1-23-14-8-12(13(20(21)22)7-11(14)16)19-6-2-3-10(9-19)15-17-4-5-18-15/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,17,18)
InChIKeyDWNHSAWRXOUKCA-UHFFFAOYSA-N
XLogP2.85
TPSA84.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-3-yl]azepane
CID 133454425
1-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-3-yl]methyl]azepane
CID 133378915
N-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide
CID 133360505
(3R)-1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-3-amine
CID 107260557
1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 63598851
N-[[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 133360955
3-bromo-4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-5-nitropyridine
CID 133453573
(3S)-1-(2-fluoro-5-methoxy-4-nitrophenyl)-3-pyrazol-1-ylpiperidine
CID 97332344
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)pyrrolidin-3-yl]ethanamine
CID 103976874
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63597808
1-(4,5-dimethoxy-2-nitrophenyl)piperidin-3-amine
CID 83007937
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 115317049

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-(1H-imidazol-2-yl)piperidine?
The IUPAC name of 1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-(1H-imidazol-2-yl)piperidine (CID 133448393) is 1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-(1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-(1H-imidazol-2-yl)piperidine?
The canonical SMILES for 1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-(1H-imidazol-2-yl)piperidine is COc1cc(N2CCCC(c3ncc[nH]3)C2)c([N+](=O)[O-])cc1F.
What is the InChIKey of 1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-(1H-imidazol-2-yl)piperidine?
The InChIKey is DWNHSAWRXOUKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3/c1-23-14-8-12(13(20(21)22)7-11(14)16)19-6-2-3-10(9-19)15-17-4-5-18-15/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,17,18).
What are the key properties of 1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-(1H-imidazol-2-yl)piperidine?
1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-(1H-imidazol-2-yl)piperidine has a molecular weight of 320.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-(1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 133448393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).