4-(4-methylpyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine

C11H16F3N3 — CID 131991141

IUPAC4-(4-methylpyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine
SMILESCc1cnn(C2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C11H16F3N3/c1-9-6-15-17(7-9)10-2-4-16(5-3-10)8-11(12,13)14/h6-7,10H,2-5,8H2,1H3
InChIKeyRRGBOGXABHUQSO-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.39
Rot. Bonds2

About 4-(4-methylpyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine

4-(4-methylpyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 131991141) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID131991141
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name4-(4-methylpyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine
SMILESCc1cnn(C2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C11H16F3N3/c1-9-6-15-17(7-9)10-2-4-16(5-3-10)8-11(12,13)14/h6-7,10H,2-5,8H2,1H3
InChIKeyRRGBOGXABHUQSO-UHFFFAOYSA-N
XLogP2.39
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-(4-methylpyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine (CID 131991141) is 4-(4-methylpyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine is Cc1cnn(C2CCN(CC(F)(F)F)CC2)c1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is RRGBOGXABHUQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-9-6-15-17(7-9)10-2-4-16(5-3-10)8-11(12,13)14/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 4-(4-methylpyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine?
4-(4-methylpyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 247.26 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 131991141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).