N-(2-piperidin-1-ium-4-ylethyl)acetamide;2,2,2-trifluoroacetate

C11H19F3N2O3 — CID 68877988

IUPACN-(2-piperidin-1-ium-4-ylethyl)acetamide;2,2,2-trifluoroacetate
SMILESCC(=O)NCCC1CC[NH2+]CC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-8(12)11-7-4-9-2-5-10-6-3-9;3-2(4,5)1(6)7/h9-10H,2-7H2,1H3,(H,11,12);(H,6,7)
InChIKeyNMSKHQYYSCRVFL-UHFFFAOYSA-N
MW284.28 g/mol
LogP-1.22
Rot. Bonds3

About N-(2-piperidin-1-ium-4-ylethyl)acetamide;2,2,2-trifluoroacetate

N-(2-piperidin-1-ium-4-ylethyl)acetamide;2,2,2-trifluoroacetate (PubChem CID 68877988) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-(2-piperidin-1-ium-4-ylethyl)acetamide;2,2,2-trifluoroacetate.

Molecular Properties

Compound NameN-(2-piperidin-1-ium-4-ylethyl)acetamide;2,2,2-trifluoroacetate
PubChem CID68877988
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC NameN-(2-piperidin-1-ium-4-ylethyl)acetamide;2,2,2-trifluoroacetate
SMILESCC(=O)NCCC1CC[NH2+]CC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-8(12)11-7-4-9-2-5-10-6-3-9;3-2(4,5)1(6)7/h9-10H,2-7H2,1H3,(H,11,12);(H,6,7)
InChIKeyNMSKHQYYSCRVFL-UHFFFAOYSA-N
XLogP-1.22
TPSA85.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ium-4-ylethyl)acetamide;2,2,2-trifluoroacetate?
The IUPAC name of N-(2-piperidin-1-ium-4-ylethyl)acetamide;2,2,2-trifluoroacetate (CID 68877988) is N-(2-piperidin-1-ium-4-ylethyl)acetamide;2,2,2-trifluoroacetate.
What is the SMILES notation for N-(2-piperidin-1-ium-4-ylethyl)acetamide;2,2,2-trifluoroacetate?
The canonical SMILES for N-(2-piperidin-1-ium-4-ylethyl)acetamide;2,2,2-trifluoroacetate is CC(=O)NCCC1CC[NH2+]CC1.O=C([O-])C(F)(F)F.
What is the InChIKey of N-(2-piperidin-1-ium-4-ylethyl)acetamide;2,2,2-trifluoroacetate?
The InChIKey is NMSKHQYYSCRVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C2HF3O2/c1-8(12)11-7-4-9-2-5-10-6-3-9;3-2(4,5)1(6)7/h9-10H,2-7H2,1H3,(H,11,12);(H,6,7).
What are the key properties of N-(2-piperidin-1-ium-4-ylethyl)acetamide;2,2,2-trifluoroacetate?
N-(2-piperidin-1-ium-4-ylethyl)acetamide;2,2,2-trifluoroacetate has a molecular weight of 284.28 g/mol, XLogP of -1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ium-4-ylethyl)acetamide;2,2,2-trifluoroacetate is sourced from PubChem (CID 68877988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).