2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C11H20F3N3O — CID 114876490

IUPAC2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCN(CC(=O)NCC(F)(F)F)CC1CN
InChIInChI=1S/C11H20F3N3O/c1-8-2-3-17(5-9(8)4-15)6-10(18)16-7-11(12,13)14/h8-9H,2-7,15H2,1H3,(H,16,18)
InChIKeyFCJNGPYHSSGYRH-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.58
Rot. Bonds4

About 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114876490) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114876490
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCN(CC(=O)NCC(F)(F)F)CC1CN
InChIInChI=1S/C11H20F3N3O/c1-8-2-3-17(5-9(8)4-15)6-10(18)16-7-11(12,13)14/h8-9H,2-7,15H2,1H3,(H,16,18)
InChIKeyFCJNGPYHSSGYRH-UHFFFAOYSA-N
XLogP0.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492407
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119905819
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide
CID 114961027
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 114961096
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 114876510
2-[(3R)-3-phenylpyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95317472
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 114961186
N-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide
CID 63252834
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide
CID 114961132
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 114960951
2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 55256658
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 82736709

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 114876490) is 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC1CCN(CC(=O)NCC(F)(F)F)CC1CN.
What is the InChIKey of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FCJNGPYHSSGYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-8-2-3-17(5-9(8)4-15)6-10(18)16-7-11(12,13)14/h8-9H,2-7,15H2,1H3,(H,16,18).
What are the key properties of 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 267.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114876490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).