2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C12H22F3N3O — CID 82736709

IUPAC2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC1CCCN(CC(=O)NCC(F)(F)F)C1CN
InChIInChI=1S/C12H22F3N3O/c1-2-9-4-3-5-18(10(9)6-16)7-11(19)17-8-12(13,14)15/h9-10H,2-8,16H2,1H3,(H,17,19)
InChIKeyIJUPIBPEEJHBIX-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.11
Rot. Bonds5

About 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 82736709) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID82736709
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC Name2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC1CCCN(CC(=O)NCC(F)(F)F)C1CN
InChIInChI=1S/C12H22F3N3O/c1-2-9-4-3-5-18(10(9)6-16)7-11(19)17-8-12(13,14)15/h9-10H,2-8,16H2,1H3,(H,17,19)
InChIKeyIJUPIBPEEJHBIX-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 82736709) is 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CCC1CCCN(CC(=O)NCC(F)(F)F)C1CN.
What is the InChIKey of 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IJUPIBPEEJHBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-2-9-4-3-5-18(10(9)6-16)7-11(19)17-8-12(13,14)15/h9-10H,2-8,16H2,1H3,(H,17,19).
What are the key properties of 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 281.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 82736709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).