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

C15H21FN2O — CID 61114338

IUPAC(3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2cc(N)c(C)c(F)c2)CC1
InChIInChI=1S/C15H21FN2O/c1-3-11-4-6-18(7-5-11)15(19)12-8-13(16)10(2)14(17)9-12/h8-9,11H,3-7,17H2,1-2H3
InChIKeyJRJHEQYBGVMLRJ-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.98
Rot. Bonds2

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

(3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone (PubChem CID 61114338) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is (3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
PubChem CID61114338
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name(3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2cc(N)c(C)c(F)c2)CC1
InChIInChI=1S/C15H21FN2O/c1-3-11-4-6-18(7-5-11)15(19)12-8-13(16)10(2)14(17)9-12/h8-9,11H,3-7,17H2,1-2H3
InChIKeyJRJHEQYBGVMLRJ-UHFFFAOYSA-N
XLogP2.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63188938
(3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61218225
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-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
(3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 54905693
[4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 80550856
(3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 60862183
2-(3-amino-5-fluoro-4-methylbenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856756

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone (CID 61114338) is (3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone is CCC1CCN(C(=O)c2cc(N)c(C)c(F)c2)CC1.
What is the InChIKey of (3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone?
The InChIKey is JRJHEQYBGVMLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-3-11-4-6-18(7-5-11)15(19)12-8-13(16)10(2)14(17)9-12/h8-9,11H,3-7,17H2,1-2H3.
What are the key properties of (3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone?
(3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone has a molecular weight of 264.34 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 61114338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).