4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine

C15H21FN2O2 — CID 63549434

IUPAC4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine
SMILESCCC1(CC)CCN(c2cccc(F)c2[N+](=O)[O-])CC1
InChIInChI=1S/C15H21FN2O2/c1-3-15(4-2)8-10-17(11-9-15)13-7-5-6-12(16)14(13)18(19)20/h5-7H,3-4,8-11H2,1-2H3
InChIKeyHXFVYKSDCQBZDW-UHFFFAOYSA-N
MW280.34 g/mol
LogP4.14
Rot. Bonds4

About 4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine

4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine (PubChem CID 63549434) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine.

Molecular Properties

Compound Name4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine
PubChem CID63549434
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine
SMILESCCC1(CC)CCN(c2cccc(F)c2[N+](=O)[O-])CC1
InChIInChI=1S/C15H21FN2O2/c1-3-15(4-2)8-10-17(11-9-15)13-7-5-6-12(16)14(13)18(19)20/h5-7H,3-4,8-11H2,1-2H3
InChIKeyHXFVYKSDCQBZDW-UHFFFAOYSA-N
XLogP4.14
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500
1-(3-fluoro-2-nitrophenyl)piperazine
CID 53255788
4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide
CID 62689125
2-[4-(3-fluoro-2-nitrophenyl)-1,4-diazepan-1-yl]acetic acid
CID 62824669
(1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 78936860
1-[1-(3-fluoro-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62689473
4,4-diethyl-1-(2-fluoro-4-methylphenyl)piperidine
CID 169105579
2-(4,4-diethylpiperidin-1-yl)-5-nitrobenzonitrile
CID 115501196
2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]acetamide
CID 47389784
2-[4-(3-fluoro-2-nitrophenyl)-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole
CID 133272239
(3R)-1-(3-fluoro-2-nitrophenyl)-3-methylpiperazine
CID 104976022
1-(3-chloro-2-nitrophenyl)-4-ethylpiperidine-4-carboxylic acid
CID 104835169

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine?
The IUPAC name of 4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine (CID 63549434) is 4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine.
What is the SMILES notation for 4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine?
The canonical SMILES for 4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine is CCC1(CC)CCN(c2cccc(F)c2[N+](=O)[O-])CC1.
What is the InChIKey of 4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine?
The InChIKey is HXFVYKSDCQBZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-3-15(4-2)8-10-17(11-9-15)13-7-5-6-12(16)14(13)18(19)20/h5-7H,3-4,8-11H2,1-2H3.
What are the key properties of 4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine?
4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine has a molecular weight of 280.34 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-1-(3-fluoro-2-nitrophenyl)piperidine is sourced from PubChem (CID 63549434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).