1-cyclobutylpiperazine;2,2,2-trifluoroacetic acid

C10H17F3N2O2 — CID 68900867

IUPAC1-cyclobutylpiperazine;2,2,2-trifluoroacetic acid
SMILESC1CC(N2CCNCC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2.C2HF3O2/c1-2-8(3-1)10-6-4-9-5-7-10;3-2(4,5)1(6)7/h8-9H,1-7H2;(H,6,7)
InChIKeySBHLRXRDJINWII-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.08
Rot. Bonds1

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

1-cyclobutylpiperazine;2,2,2-trifluoroacetic acid (PubChem CID 68900867) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-cyclobutylpiperazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-cyclobutylpiperazine;2,2,2-trifluoroacetic acid
PubChem CID68900867
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name1-cyclobutylpiperazine;2,2,2-trifluoroacetic acid
SMILESC1CC(N2CCNCC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2.C2HF3O2/c1-2-8(3-1)10-6-4-9-5-7-10;3-2(4,5)1(6)7/h8-9H,1-7H2;(H,6,7)
InChIKeySBHLRXRDJINWII-UHFFFAOYSA-N
XLogP1.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylpiperazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-cyclobutylpiperazine;2,2,2-trifluoroacetic acid (CID 68900867) is 1-cyclobutylpiperazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-cyclobutylpiperazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-cyclobutylpiperazine;2,2,2-trifluoroacetic acid is C1CC(N2CCNCC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-cyclobutylpiperazine;2,2,2-trifluoroacetic acid?
The InChIKey is SBHLRXRDJINWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C2HF3O2/c1-2-8(3-1)10-6-4-9-5-7-10;3-2(4,5)1(6)7/h8-9H,1-7H2;(H,6,7).
What are the key properties of 1-cyclobutylpiperazine;2,2,2-trifluoroacetic acid?
1-cyclobutylpiperazine;2,2,2-trifluoroacetic acid has a molecular weight of 254.25 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylpiperazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68900867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).