1-cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate

C13H22F3NO2 — CID 67340942

IUPAC1-cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate
SMILESC1CCC([NH+]2CCCCC2)CC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C11H21N.C2HF3O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-2(4,5)1(6)7/h11H,1-10H2;(H,6,7)
InChIKeyRWWQYKHUHSXODY-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.69
Rot. Bonds1

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

1-cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate (PubChem CID 67340942) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name1-cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate
PubChem CID67340942
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name1-cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate
SMILESC1CCC([NH+]2CCCCC2)CC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C11H21N.C2HF3O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-2(4,5)1(6)7/h11H,1-10H2;(H,6,7)
InChIKeyRWWQYKHUHSXODY-UHFFFAOYSA-N
XLogP0.69
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexylazanium;2,2,2-trifluoroacetate
CID 69179131
1,4-dicyclohexylpiperazine-1,4-diium
CID 4743451
tricyclopentyl(methyl)phosphanium;2,2,2-trifluoroacetate
CID 70545717
1-cyclooctyl-4-methylpiperazine-1,4-diium
CID 6938601
samarium;bis(2,2,2-trifluoroacetate)
CID 22462012
magnesium bis(2,2,2-trifluoroacetate)
CID 11139550
zinc 2,2,2-trifluoroacetate
CID 22604677
sodium 2,2,2-trifluoroacetate
CID 517019
azocan-1-ium;2,2,2-trifluoroacetate
CID 162469038
3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate
CID 164746791
2-cyclohexyloxy-2,2-difluoroacetate
CID 164746573
iodanium;silver;bis(2,2,2-trifluoroacetate)
CID 158821992

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate?
The IUPAC name of 1-cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate (CID 67340942) is 1-cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate.
What is the SMILES notation for 1-cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate?
The canonical SMILES for 1-cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate is C1CCC([NH+]2CCCCC2)CC1.O=C([O-])C(F)(F)F.
What is the InChIKey of 1-cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate?
The InChIKey is RWWQYKHUHSXODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C2HF3O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-2(4,5)1(6)7/h11H,1-10H2;(H,6,7).
What are the key properties of 1-cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate?
1-cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate has a molecular weight of 281.32 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate is sourced from PubChem (CID 67340942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).