(4-ethylpiperidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone

C14H17FN2O3 — CID 61053031

IUPAC(4-ethylpiperidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone
SMILESCCC1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H17FN2O3/c1-2-10-5-7-16(8-6-10)14(18)12-9-11(15)3-4-13(12)17(19)20/h3-4,9-10H,2,5-8H2,1H3
InChIKeyHLIXFWFXWCKIGU-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.00
Rot. Bonds3

About (4-ethylpiperidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone

(4-ethylpiperidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone (PubChem CID 61053031) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is (4-ethylpiperidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone
PubChem CID61053031
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name(4-ethylpiperidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone
SMILESCCC1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H17FN2O3/c1-2-10-5-7-16(8-6-10)14(18)12-9-11(15)3-4-13(12)17(19)20/h3-4,9-10H,2,5-8H2,1H3
InChIKeyHLIXFWFXWCKIGU-UHFFFAOYSA-N
XLogP3.00
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.00
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

(5-fluoro-2-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 60875443
(5-fluoro-2-nitrophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678226
[3-(bromomethyl)piperidin-1-yl]-(5-fluoro-2-nitrophenyl)methanone
CID 80660098
(5-fluoro-2-nitrophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61206549
(5-fluoro-2-nitrophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 60876774
(2-ethyl-5-methylpyrrolidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone
CID 83136633
(2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 115678709
(5-fluoro-2-nitrophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427969
[4-(hydroxymethyl)piperidin-1-yl]-[5-(methylamino)-2-nitrophenyl]methanone
CID 62185876
(5-fluoro-2-nitrophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103745577
[4-(chloromethyl)piperidin-1-yl]-(2,5-difluoro-3-nitrophenyl)methanone
CID 107123463
(2-amino-3-nitrophenyl)-(4-ethylazepan-1-yl)methanone
CID 115679111

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone?
The IUPAC name of (4-ethylpiperidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone (CID 61053031) is (4-ethylpiperidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone.
What is the SMILES notation for (4-ethylpiperidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone?
The canonical SMILES for (4-ethylpiperidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone is CCC1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of (4-ethylpiperidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone?
The InChIKey is HLIXFWFXWCKIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-2-10-5-7-16(8-6-10)14(18)12-9-11(15)3-4-13(12)17(19)20/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of (4-ethylpiperidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone?
(4-ethylpiperidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone has a molecular weight of 280.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone is sourced from PubChem (CID 61053031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).