[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone

C15H19F3N2O — CID 103352282

IUPAC[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
SMILESCCC1CCN(C(=O)c2c(F)cc(F)cc2F)C(CN)C1
InChIInChI=1S/C15H19F3N2O/c1-2-9-3-4-20(11(5-9)8-19)15(21)14-12(17)6-10(16)7-13(14)18/h6-7,9,11H,2-5,8,19H2,1H3
InChIKeyZKLQCCLWSJTPRX-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.69
Rot. Bonds3

About [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone

[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone (PubChem CID 103352282) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
PubChem CID103352282
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
SMILESCCC1CCN(C(=O)c2c(F)cc(F)cc2F)C(CN)C1
InChIInChI=1S/C15H19F3N2O/c1-2-9-3-4-20(11(5-9)8-19)15(21)14-12(17)6-10(16)7-13(14)18/h6-7,9,11H,2-5,8,19H2,1H3
InChIKeyZKLQCCLWSJTPRX-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103441080
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(4-bromo-2-fluorophenyl)methanone
CID 103352234
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone
CID 107963758
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 103352393
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 103352121
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(3-bromo-2-fluorophenyl)methanone
CID 107956337
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 103352437
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 103352115
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-bromo-5-methylphenyl)methanone
CID 103352292
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 103352365
2-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 103352598
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one
CID 103352029

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone (CID 103352282) is [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone is CCC1CCN(C(=O)c2c(F)cc(F)cc2F)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone?
The InChIKey is ZKLQCCLWSJTPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-2-9-3-4-20(11(5-9)8-19)15(21)14-12(17)6-10(16)7-13(14)18/h6-7,9,11H,2-5,8,19H2,1H3.
What are the key properties of [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone?
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone has a molecular weight of 300.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 103352282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).