N-(1-cyclobutylpyrazol-4-yl)-1-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid

C15H23F3N4O2 — CID 155225169

IUPACN-(1-cyclobutylpyrazol-4-yl)-1-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCN1CCC(Nc2cnn(C3CCC3)c2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H22N4.C2HF3O2/c1-16-7-5-11(6-8-16)15-12-9-14-17(10-12)13-3-2-4-13;3-2(4,5)1(6)7/h9-11,13,15H,2-8H2,1H3;(H,6,7)
InChIKeyPFEMISOACHVDHG-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.75
Rot. Bonds3

About N-(1-cyclobutylpyrazol-4-yl)-1-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid

N-(1-cyclobutylpyrazol-4-yl)-1-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 155225169) has the molecular formula C15H23F3N4O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-(1-cyclobutylpyrazol-4-yl)-1-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1-cyclobutylpyrazol-4-yl)-1-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID155225169
Molecular FormulaC15H23F3N4O2
Molecular Weight348.37 g/mol
Exact Mass348.18
IUPAC NameN-(1-cyclobutylpyrazol-4-yl)-1-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCN1CCC(Nc2cnn(C3CCC3)c2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H22N4.C2HF3O2/c1-16-7-5-11(6-8-16)15-12-9-14-17(10-12)13-3-2-4-13;3-2(4,5)1(6)7/h9-11,13,15H,2-8H2,1H3;(H,6,7)
InChIKeyPFEMISOACHVDHG-UHFFFAOYSA-N
XLogP2.75
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-1-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-1-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid (CID 155225169) is N-(1-cyclobutylpyrazol-4-yl)-1-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1-cyclobutylpyrazol-4-yl)-1-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1-cyclobutylpyrazol-4-yl)-1-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid is CN1CCC(Nc2cnn(C3CCC3)c2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1-cyclobutylpyrazol-4-yl)-1-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is PFEMISOACHVDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4.C2HF3O2/c1-16-7-5-11(6-8-16)15-12-9-14-17(10-12)13-3-2-4-13;3-2(4,5)1(6)7/h9-11,13,15H,2-8H2,1H3;(H,6,7).
What are the key properties of N-(1-cyclobutylpyrazol-4-yl)-1-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
N-(1-cyclobutylpyrazol-4-yl)-1-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 348.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpyrazol-4-yl)-1-methylpiperidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155225169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).