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

C16H23FN2O — CID 63156628

IUPAC(3-amino-5-fluoro-4-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCN(C(=O)c2cc(N)c(C)c(F)c2)CC1
InChIInChI=1S/C16H23FN2O/c1-4-16(3)5-7-19(8-6-16)15(20)12-9-13(17)11(2)14(18)10-12/h9-10H,4-8,18H2,1-3H3
InChIKeyVFACDJLNTFMJQY-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.37
Rot. Bonds2

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

(3-amino-5-fluoro-4-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone (PubChem CID 63156628) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is (3-amino-5-fluoro-4-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-fluoro-4-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
PubChem CID63156628
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name(3-amino-5-fluoro-4-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCN(C(=O)c2cc(N)c(C)c(F)c2)CC1
InChIInChI=1S/C16H23FN2O/c1-4-16(3)5-7-19(8-6-16)15(20)12-9-13(17)11(2)14(18)10-12/h9-10H,4-8,18H2,1-3H3
InChIKeyVFACDJLNTFMJQY-UHFFFAOYSA-N
XLogP3.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.37
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

(3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61114338
(3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone
CID 54927621
(3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 60862196
(3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61218225
4-(3-amino-5-fluoro-4-methylbenzoyl)piperazine-1-sulfonamide
CID 61140079
(5-amino-2-bromo-4-fluorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63156469
methyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate
CID 61118032
(3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 60862183
(3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 107952405
(3-amino-5-fluoro-4-methylphenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166231
(4-ethyl-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone
CID 55160072
(4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone
CID 55137830

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-fluoro-4-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-5-fluoro-4-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone (CID 63156628) is (3-amino-5-fluoro-4-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-5-fluoro-4-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-5-fluoro-4-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone is CCC1(C)CCN(C(=O)c2cc(N)c(C)c(F)c2)CC1.
What is the InChIKey of (3-amino-5-fluoro-4-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The InChIKey is VFACDJLNTFMJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-4-16(3)5-7-19(8-6-16)15(20)12-9-13(17)11(2)14(18)10-12/h9-10H,4-8,18H2,1-3H3.
What are the key properties of (3-amino-5-fluoro-4-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone?
(3-amino-5-fluoro-4-methylphenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone has a molecular weight of 278.37 g/mol, XLogP of 3.37, 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-ethyl-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 63156628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).