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

C10H14F3N3 — CID 123621059

IUPAC4-pyrazol-1-yl-1-(2,2,2-trifluoroethyl)piperidine
SMILESFC(F)(F)CN1CCC(n2cccn2)CC1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)8-15-6-2-9(3-7-15)16-5-1-4-14-16/h1,4-5,9H,2-3,6-8H2
InChIKeyXYDGVRLTAMNIEE-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.08
Rot. Bonds2

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

4-pyrazol-1-yl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 123621059) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 4-pyrazol-1-yl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-pyrazol-1-yl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID123621059
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name4-pyrazol-1-yl-1-(2,2,2-trifluoroethyl)piperidine
SMILESFC(F)(F)CN1CCC(n2cccn2)CC1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)8-15-6-2-9(3-7-15)16-5-1-4-14-16/h1,4-5,9H,2-3,6-8H2
InChIKeyXYDGVRLTAMNIEE-UHFFFAOYSA-N
XLogP2.08
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-pyrazol-1-yl-1-(2,2,2-trifluoroethyl)piperidine (CID 123621059) is 4-pyrazol-1-yl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-pyrazol-1-yl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-pyrazol-1-yl-1-(2,2,2-trifluoroethyl)piperidine is FC(F)(F)CN1CCC(n2cccn2)CC1.
What is the InChIKey of 4-pyrazol-1-yl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is XYDGVRLTAMNIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c11-10(12,13)8-15-6-2-9(3-7-15)16-5-1-4-14-16/h1,4-5,9H,2-3,6-8H2.
What are the key properties of 4-pyrazol-1-yl-1-(2,2,2-trifluoroethyl)piperidine?
4-pyrazol-1-yl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 233.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 123621059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).