1-tert-butyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine

C13H20F3N3 — CID 71225785

IUPAC1-tert-butyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine
SMILESCC(C)(C)N1CCC(n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H20F3N3/c1-12(2,3)18-6-4-11(5-7-18)19-9-10(8-17-19)13(14,15)16/h8-9,11H,4-7H2,1-3H3
InChIKeyZZFYONLAZPKBLF-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.34
Rot. Bonds1

About 1-tert-butyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine

1-tert-butyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine (PubChem CID 71225785) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine
PubChem CID71225785
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name1-tert-butyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine
SMILESCC(C)(C)N1CCC(n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H20F3N3/c1-12(2,3)18-6-4-11(5-7-18)19-9-10(8-17-19)13(14,15)16/h8-9,11H,4-7H2,1-3H3
InChIKeyZZFYONLAZPKBLF-UHFFFAOYSA-N
XLogP3.34
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine?
The IUPAC name of 1-tert-butyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine (CID 71225785) is 1-tert-butyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine?
The canonical SMILES for 1-tert-butyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine is CC(C)(C)N1CCC(n2cc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-tert-butyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine?
The InChIKey is ZZFYONLAZPKBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-12(2,3)18-6-4-11(5-7-18)19-9-10(8-17-19)13(14,15)16/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine?
1-tert-butyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine has a molecular weight of 275.32 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine is sourced from PubChem (CID 71225785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).