1-methylpiperidin-1-ium;2,2,2-trifluoroacetate

C8H14F3NO2 — CID 67268366

IUPAC1-methylpiperidin-1-ium;2,2,2-trifluoroacetate
SMILESC[NH+]1CCCCC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C6H13N.C2HF3O2/c1-7-5-3-2-4-6-7;3-2(4,5)1(6)7/h2-6H2,1H3;(H,6,7)
InChIKeyCVXUSUNJAFQWTI-UHFFFAOYSA-N
MW213.20 g/mol
LogP-1.02
Rot. Bonds

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

1-methylpiperidin-1-ium;2,2,2-trifluoroacetate (PubChem CID 67268366) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 1-methylpiperidin-1-ium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name1-methylpiperidin-1-ium;2,2,2-trifluoroacetate
PubChem CID67268366
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name1-methylpiperidin-1-ium;2,2,2-trifluoroacetate
SMILESC[NH+]1CCCCC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C6H13N.C2HF3O2/c1-7-5-3-2-4-6-7;3-2(4,5)1(6)7/h2-6H2,1H3;(H,6,7)
InChIKeyCVXUSUNJAFQWTI-UHFFFAOYSA-N
XLogP-1.02
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-1-ium;2,2,2-trifluoroacetate?
The IUPAC name of 1-methylpiperidin-1-ium;2,2,2-trifluoroacetate (CID 67268366) is 1-methylpiperidin-1-ium;2,2,2-trifluoroacetate.
What is the SMILES notation for 1-methylpiperidin-1-ium;2,2,2-trifluoroacetate?
The canonical SMILES for 1-methylpiperidin-1-ium;2,2,2-trifluoroacetate is C[NH+]1CCCCC1.O=C([O-])C(F)(F)F.
What is the InChIKey of 1-methylpiperidin-1-ium;2,2,2-trifluoroacetate?
The InChIKey is CVXUSUNJAFQWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C2HF3O2/c1-7-5-3-2-4-6-7;3-2(4,5)1(6)7/h2-6H2,1H3;(H,6,7).
What are the key properties of 1-methylpiperidin-1-ium;2,2,2-trifluoroacetate?
1-methylpiperidin-1-ium;2,2,2-trifluoroacetate has a molecular weight of 213.20 g/mol, XLogP of -1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-1-ium;2,2,2-trifluoroacetate is sourced from PubChem (CID 67268366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).