1-(2,2,2-trifluoroethyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidin-4-amine

C13H21F3N4 — CID 43768905

IUPAC1-(2,2,2-trifluoroethyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidin-4-amine
SMILESCc1nn(C)c(C)c1NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H21F3N4/c1-9-12(10(2)19(3)18-9)17-11-4-6-20(7-5-11)8-13(14,15)16/h11,17H,4-8H2,1-3H3
InChIKeyGODSWPRMTRVLMB-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.48
Rot. Bonds3

About 1-(2,2,2-trifluoroethyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidin-4-amine

1-(2,2,2-trifluoroethyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidin-4-amine (PubChem CID 43768905) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidin-4-amine
PubChem CID43768905
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name1-(2,2,2-trifluoroethyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidin-4-amine
SMILESCc1nn(C)c(C)c1NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H21F3N4/c1-9-12(10(2)19(3)18-9)17-11-4-6-20(7-5-11)8-13(14,15)16/h11,17H,4-8H2,1-3H3
InChIKeyGODSWPRMTRVLMB-UHFFFAOYSA-N
XLogP2.48
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidin-4-amine?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidin-4-amine (CID 43768905) is 1-(2,2,2-trifluoroethyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidin-4-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidin-4-amine is Cc1nn(C)c(C)c1NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidin-4-amine?
The InChIKey is GODSWPRMTRVLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-9-12(10(2)19(3)18-9)17-11-4-6-20(7-5-11)8-13(14,15)16/h11,17H,4-8H2,1-3H3.
What are the key properties of 1-(2,2,2-trifluoroethyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidin-4-amine?
1-(2,2,2-trifluoroethyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidin-4-amine has a molecular weight of 290.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidin-4-amine is sourced from PubChem (CID 43768905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).