1-propan-2-ylpiperidin-1-ium;2,2,2-trifluoroacetate

C10H18F3NO2 — CID 67339631

IUPAC1-propan-2-ylpiperidin-1-ium;2,2,2-trifluoroacetate
SMILESCC(C)[NH+]1CCCCC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C8H17N.C2HF3O2/c1-8(2)9-6-4-3-5-7-9;3-2(4,5)1(6)7/h8H,3-7H2,1-2H3;(H,6,7)
InChIKeyGPWBKXSJUREJMN-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.24
Rot. Bonds1

About 1-propan-2-ylpiperidin-1-ium;2,2,2-trifluoroacetate

1-propan-2-ylpiperidin-1-ium;2,2,2-trifluoroacetate (PubChem CID 67339631) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-propan-2-ylpiperidin-1-ium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name1-propan-2-ylpiperidin-1-ium;2,2,2-trifluoroacetate
PubChem CID67339631
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1-propan-2-ylpiperidin-1-ium;2,2,2-trifluoroacetate
SMILESCC(C)[NH+]1CCCCC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C8H17N.C2HF3O2/c1-8(2)9-6-4-3-5-7-9;3-2(4,5)1(6)7/h8H,3-7H2,1-2H3;(H,6,7)
InChIKeyGPWBKXSJUREJMN-UHFFFAOYSA-N
XLogP-0.24
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

Piperidinium trifluoroacetate
CID 66865399
N-methylpiperidinium trifluoroacetate
CID 67268366
1-Propyl-1-methylpiperidinium trifluoroacetate
CID 129878166
Diamylammonium-trifluoracetat
CID 71673338
N,N-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 18917555
Tributylazanium;2,2,2-trifluoroacetate
CID 21903428
(1-Propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
CID 23018851
4,4-Difluoropiperidin-1-ium;acetate
CID 66968437
1-Ethylpiperidin-1-ium;2,2,2-trifluoroacetate
CID 67340395
1-Cyclohexylpiperidin-1-ium;2,2,2-trifluoroacetate
CID 67340942
1-Propylpiperidin-1-ium;2,2,2-trifluoroacetate
CID 67341134
1-Cyclobutylpiperidin-1-ium;2,2,2-trifluoroacetate
CID 67341282

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpiperidin-1-ium;2,2,2-trifluoroacetate?
The IUPAC name of 1-propan-2-ylpiperidin-1-ium;2,2,2-trifluoroacetate (CID 67339631) is 1-propan-2-ylpiperidin-1-ium;2,2,2-trifluoroacetate.
What is the SMILES notation for 1-propan-2-ylpiperidin-1-ium;2,2,2-trifluoroacetate?
The canonical SMILES for 1-propan-2-ylpiperidin-1-ium;2,2,2-trifluoroacetate is CC(C)[NH+]1CCCCC1.O=C([O-])C(F)(F)F.
What is the InChIKey of 1-propan-2-ylpiperidin-1-ium;2,2,2-trifluoroacetate?
The InChIKey is GPWBKXSJUREJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2HF3O2/c1-8(2)9-6-4-3-5-7-9;3-2(4,5)1(6)7/h8H,3-7H2,1-2H3;(H,6,7).
What are the key properties of 1-propan-2-ylpiperidin-1-ium;2,2,2-trifluoroacetate?
1-propan-2-ylpiperidin-1-ium;2,2,2-trifluoroacetate has a molecular weight of 241.25 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpiperidin-1-ium;2,2,2-trifluoroacetate is sourced from PubChem (CID 67339631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).