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

C10H17F3N2O — CID 23297752

IUPAC2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone
SMILESCNCCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c1-14-5-2-8-3-6-15(7-4-8)9(16)10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyJUZAXSAVLKRGFB-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.40
Rot. Bonds3

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

2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone (PubChem CID 23297752) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone
PubChem CID23297752
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone
SMILESCNCCC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c1-14-5-2-8-3-6-15(7-4-8)9(16)10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyJUZAXSAVLKRGFB-UHFFFAOYSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.40
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?
The IUPAC name of 2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone (CID 23297752) is 2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone is CNCCC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone?
The InChIKey is JUZAXSAVLKRGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-14-5-2-8-3-6-15(7-4-8)9(16)10(11,12)13/h8,14H,2-7H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone has a molecular weight of 238.25 g/mol, XLogP of 1.40, 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 is sourced from PubChem (CID 23297752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).