1-propylpiperidin-1-ium;2,2,2-trifluoroacetate

C10H18F3NO2 — CID 67341134

IUPAC1-propylpiperidin-1-ium;2,2,2-trifluoroacetate
SMILESCCC[NH+]1CCCCC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C8H17N.C2HF3O2/c1-2-6-9-7-4-3-5-8-9;3-2(4,5)1(6)7/h2-8H2,1H3;(H,6,7)
InChIKeyACJCIMLTEIRDOV-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.24
Rot. Bonds2

About 1-propylpiperidin-1-ium;2,2,2-trifluoroacetate

1-propylpiperidin-1-ium;2,2,2-trifluoroacetate (PubChem CID 67341134) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-propylpiperidin-1-ium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name1-propylpiperidin-1-ium;2,2,2-trifluoroacetate
PubChem CID67341134
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1-propylpiperidin-1-ium;2,2,2-trifluoroacetate
SMILESCCC[NH+]1CCCCC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C8H17N.C2HF3O2/c1-2-6-9-7-4-3-5-8-9;3-2(4,5)1(6)7/h2-8H2,1H3;(H,6,7)
InChIKeyACJCIMLTEIRDOV-UHFFFAOYSA-N
XLogP-0.24
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propylpiperidin-1-ium;2,2,2-trifluoroacetate?
The IUPAC name of 1-propylpiperidin-1-ium;2,2,2-trifluoroacetate (CID 67341134) is 1-propylpiperidin-1-ium;2,2,2-trifluoroacetate.
What is the SMILES notation for 1-propylpiperidin-1-ium;2,2,2-trifluoroacetate?
The canonical SMILES for 1-propylpiperidin-1-ium;2,2,2-trifluoroacetate is CCC[NH+]1CCCCC1.O=C([O-])C(F)(F)F.
What is the InChIKey of 1-propylpiperidin-1-ium;2,2,2-trifluoroacetate?
The InChIKey is ACJCIMLTEIRDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2HF3O2/c1-2-6-9-7-4-3-5-8-9;3-2(4,5)1(6)7/h2-8H2,1H3;(H,6,7).
What are the key properties of 1-propylpiperidin-1-ium;2,2,2-trifluoroacetate?
1-propylpiperidin-1-ium;2,2,2-trifluoroacetate has a molecular weight of 241.25 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpiperidin-1-ium;2,2,2-trifluoroacetate is sourced from PubChem (CID 67341134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).