2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone;hydrochloride

C10H18ClF3N2O — CID 23297751

IUPAC2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone;hydrochloride
SMILESCNCCC1CCN(C(=O)C(F)(F)F)CC1.Cl
InChIInChI=1S/C10H17F3N2O.ClH/c1-14-5-2-8-3-6-15(7-4-8)9(16)10(11,12)13;/h8,14H,2-7H2,1H3;1H
InChIKeyWUGYZQBCWXGLMU-UHFFFAOYSA-N
MW274.71 g/mol
LogP1.82
Rot. Bonds3

About 2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone;hydrochloride

2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone;hydrochloride (PubChem CID 23297751) has the molecular formula C10H18ClF3N2O and a molecular weight of 274.71 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone;hydrochloride
PubChem CID23297751
Molecular FormulaC10H18ClF3N2O
Molecular Weight274.71 g/mol
Exact Mass274.11
IUPAC Name2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone;hydrochloride
SMILESCNCCC1CCN(C(=O)C(F)(F)F)CC1.Cl
InChIInChI=1S/C10H17F3N2O.ClH/c1-14-5-2-8-3-6-15(7-4-8)9(16)10(11,12)13;/h8,14H,2-7H2,1H3;1H
InChIKeyWUGYZQBCWXGLMU-UHFFFAOYSA-N
XLogP1.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone;hydrochloride (CID 23297751) is 2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone;hydrochloride is CNCCC1CCN(C(=O)C(F)(F)F)CC1.Cl.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is WUGYZQBCWXGLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O.ClH/c1-14-5-2-8-3-6-15(7-4-8)9(16)10(11,12)13;/h8,14H,2-7H2,1H3;1H.
What are the key properties of 2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone;hydrochloride?
2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 274.71 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 23297751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).