(3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone

C15H21FN2O2 — CID 61218225

IUPAC(3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)c2cc(N)c(C)c(F)c2)CC1
InChIInChI=1S/C15H21FN2O2/c1-3-20-12-4-6-18(7-5-12)15(19)11-8-13(16)10(2)14(17)9-11/h8-9,12H,3-7,17H2,1-2H3
InChIKeyWJMCWQJPUGXPPA-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.36
Rot. Bonds3

About (3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone

(3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone (PubChem CID 61218225) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is (3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
PubChem CID61218225
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name(3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)c2cc(N)c(C)c(F)c2)CC1
InChIInChI=1S/C15H21FN2O2/c1-3-20-12-4-6-18(7-5-12)15(19)11-8-13(16)10(2)14(17)9-11/h8-9,12H,3-7,17H2,1-2H3
InChIKeyWJMCWQJPUGXPPA-UHFFFAOYSA-N
XLogP2.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 63185244
(3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61114338
methyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate
CID 61118032
(3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone
CID 54927621
(3-amino-5-fluoro-4-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63156628
(3-amino-5-fluoro-4-methylphenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166231
(3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 113460719
(3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 60862196
4-(3-amino-5-fluoro-4-methylbenzoyl)piperazine-1-sulfonamide
CID 61140079
(4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63189041
(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61150797
(3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 60862183

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone?
The IUPAC name of (3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone (CID 61218225) is (3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone is CCOC1CCN(C(=O)c2cc(N)c(C)c(F)c2)CC1.
What is the InChIKey of (3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone?
The InChIKey is WJMCWQJPUGXPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-3-20-12-4-6-18(7-5-12)15(19)11-8-13(16)10(2)14(17)9-11/h8-9,12H,3-7,17H2,1-2H3.
What are the key properties of (3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone?
(3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone has a molecular weight of 280.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 61218225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).