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

C10H13F3IN3 — CID 90288331

IUPAC4-(4-iodopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine
SMILESFC(F)(F)CN1CCC(n2cc(I)cn2)CC1
InChIInChI=1S/C10H13F3IN3/c11-10(12,13)7-16-3-1-9(2-4-16)17-6-8(14)5-15-17/h5-6,9H,1-4,7H2
InChIKeyAKPVFOMUVONXEH-UHFFFAOYSA-N
MW359.13 g/mol
LogP2.69
Rot. Bonds2

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

4-(4-iodopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 90288331) has the molecular formula C10H13F3IN3 and a molecular weight of 359.13 g/mol. Its IUPAC name is 4-(4-iodopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-(4-iodopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID90288331
Molecular FormulaC10H13F3IN3
Molecular Weight359.13 g/mol
Exact Mass359.01
IUPAC Name4-(4-iodopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine
SMILESFC(F)(F)CN1CCC(n2cc(I)cn2)CC1
InChIInChI=1S/C10H13F3IN3/c11-10(12,13)7-16-3-1-9(2-4-16)17-6-8(14)5-15-17/h5-6,9H,1-4,7H2
InChIKeyAKPVFOMUVONXEH-UHFFFAOYSA-N
XLogP2.69
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.13
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-iodopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-(4-iodopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine (CID 90288331) is 4-(4-iodopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-(4-iodopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-(4-iodopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine is FC(F)(F)CN1CCC(n2cc(I)cn2)CC1.
What is the InChIKey of 4-(4-iodopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is AKPVFOMUVONXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3IN3/c11-10(12,13)7-16-3-1-9(2-4-16)17-6-8(14)5-15-17/h5-6,9H,1-4,7H2.
What are the key properties of 4-(4-iodopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine?
4-(4-iodopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 359.13 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 90288331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).