2,2,2-trifluoro-N-(2-piperidin-1-ium-4-ylpropan-2-yl)acetamide

C10H18F3N2O+ — CID 21036994

IUPAC2,2,2-trifluoro-N-(2-piperidin-1-ium-4-ylpropan-2-yl)acetamide
SMILESCC(C)(NC(=O)C(F)(F)F)C1CC[NH2+]CC1
InChIInChI=1S/C10H17F3N2O/c1-9(2,7-3-5-14-6-4-7)15-8(16)10(11,12)13/h7,14H,3-6H2,1-2H3,(H,15,16)/p+1
InChIKeySFPCBRAQWVJMLP-UHFFFAOYSA-O
MW239.26 g/mol
LogP0.42
Rot. Bonds2

About 2,2,2-trifluoro-N-(2-piperidin-1-ium-4-ylpropan-2-yl)acetamide

2,2,2-trifluoro-N-(2-piperidin-1-ium-4-ylpropan-2-yl)acetamide (PubChem CID 21036994) has the molecular formula C10H18F3N2O+ and a molecular weight of 239.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-piperidin-1-ium-4-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-piperidin-1-ium-4-ylpropan-2-yl)acetamide
PubChem CID21036994
Molecular FormulaC10H18F3N2O+
Molecular Weight239.26 g/mol
Exact Mass239.14
IUPAC Name2,2,2-trifluoro-N-(2-piperidin-1-ium-4-ylpropan-2-yl)acetamide
SMILESCC(C)(NC(=O)C(F)(F)F)C1CC[NH2+]CC1
InChIInChI=1S/C10H17F3N2O/c1-9(2,7-3-5-14-6-4-7)15-8(16)10(11,12)13/h7,14H,3-6H2,1-2H3,(H,15,16)/p+1
InChIKeySFPCBRAQWVJMLP-UHFFFAOYSA-O
XLogP0.42
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide
CID 122702900
2,2,2-Trifluoro-N-(piperidin-4-ylmethyl)acetamide
CID 17998885
rac-2,2,2-trifluoro-N-((3R,4R)-4-methylpiperidin-3-yl)acetamide
CID 124251655
2,2,2-Trifluoro-N-[2-(2,2,6,6-tetramethyl-piperidin-4-yl)-ethyl]-acetamide
CID 622122
2,2,2-trifluoro-N-(2-piperidin-4-ylpropan-2-yl)acetamide
CID 21036995
2,2,2-trifluoro-N-[(4-methylpiperidin-1-ium-4-yl)methyl]acetamide
CID 21036996
CID 21037016
CID 21037016
2,2,2-Trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone;hydrochloride
CID 23297751
2,2,2-Trifluoro-1-[4-[2-(methylamino)ethyl]piperidin-1-yl]ethanone
CID 23297752
2,2,2-trifluoro-N-[2-(piperidin-4-yl)ethyl]acetamide
CID 28606319
1-[4-(1-Aminopropan-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 57115956
2,2-difluoro-N-(piperidin-3-ylmethyl)propanamide
CID 57695362

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-piperidin-1-ium-4-ylpropan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-piperidin-1-ium-4-ylpropan-2-yl)acetamide (CID 21036994) is 2,2,2-trifluoro-N-(2-piperidin-1-ium-4-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-piperidin-1-ium-4-ylpropan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-piperidin-1-ium-4-ylpropan-2-yl)acetamide is CC(C)(NC(=O)C(F)(F)F)C1CC[NH2+]CC1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-piperidin-1-ium-4-ylpropan-2-yl)acetamide?
The InChIKey is SFPCBRAQWVJMLP-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H17F3N2O/c1-9(2,7-3-5-14-6-4-7)15-8(16)10(11,12)13/h7,14H,3-6H2,1-2H3,(H,15,16)/p+1.
What are the key properties of 2,2,2-trifluoro-N-(2-piperidin-1-ium-4-ylpropan-2-yl)acetamide?
2,2,2-trifluoro-N-(2-piperidin-1-ium-4-ylpropan-2-yl)acetamide has a molecular weight of 239.26 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-piperidin-1-ium-4-ylpropan-2-yl)acetamide is sourced from PubChem (CID 21036994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).