1-cyclobutylpiperidine;2,2,2-trifluoroacetic acid

C11H18F3NO2 — CID 171929110

IUPAC1-cyclobutylpiperidine;2,2,2-trifluoroacetic acid
SMILESC1CCN(C2CCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H17N.C2HF3O2/c1-2-7-10(8-3-1)9-5-4-6-9;3-2(4,5)1(6)7/h9H,1-8H2;(H,6,7)
InChIKeyBZPUDVITMGPIIJ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.66
Rot. Bonds1

About 1-cyclobutylpiperidine;2,2,2-trifluoroacetic acid

1-cyclobutylpiperidine;2,2,2-trifluoroacetic acid (PubChem CID 171929110) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-cyclobutylpiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-cyclobutylpiperidine;2,2,2-trifluoroacetic acid
PubChem CID171929110
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name1-cyclobutylpiperidine;2,2,2-trifluoroacetic acid
SMILESC1CCN(C2CCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H17N.C2HF3O2/c1-2-7-10(8-3-1)9-5-4-6-9;3-2(4,5)1(6)7/h9H,1-8H2;(H,6,7)
InChIKeyBZPUDVITMGPIIJ-UHFFFAOYSA-N
XLogP2.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylpiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-cyclobutylpiperidine;2,2,2-trifluoroacetic acid (CID 171929110) is 1-cyclobutylpiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-cyclobutylpiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-cyclobutylpiperidine;2,2,2-trifluoroacetic acid is C1CCN(C2CCC2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-cyclobutylpiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is BZPUDVITMGPIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C2HF3O2/c1-2-7-10(8-3-1)9-5-4-6-9;3-2(4,5)1(6)7/h9H,1-8H2;(H,6,7).
What are the key properties of 1-cyclobutylpiperidine;2,2,2-trifluoroacetic acid?
1-cyclobutylpiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 253.26 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylpiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171929110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).