tert-butyl 4-[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]piperazine-1-carboxylate

C14H21F3N4O2 — CID 162605351

IUPACtert-butyl 4-[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2=NCC(C(F)(F)F)N=C2)CC1
InChIInChI=1S/C14H21F3N4O2/c1-13(2,3)23-12(22)21-6-4-20(5-7-21)11-9-18-10(8-19-11)14(15,16)17/h9-10H,4-8H2,1-3H3
InChIKeyJGRGAYZRBZKECU-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.95
Rot. Bonds

About tert-butyl 4-[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]piperazine-1-carboxylate

tert-butyl 4-[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]piperazine-1-carboxylate (PubChem CID 162605351) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is tert-butyl 4-[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]piperazine-1-carboxylate
PubChem CID162605351
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC Nametert-butyl 4-[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2=NCC(C(F)(F)F)N=C2)CC1
InChIInChI=1S/C14H21F3N4O2/c1-13(2,3)23-12(22)21-6-4-20(5-7-21)11-9-18-10(8-19-11)14(15,16)17/h9-10H,4-8H2,1-3H3
InChIKeyJGRGAYZRBZKECU-UHFFFAOYSA-N
XLogP1.95
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]piperazine-1-carboxylate (CID 162605351) is tert-butyl 4-[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C2=NCC(C(F)(F)F)N=C2)CC1.
What is the InChIKey of tert-butyl 4-[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]piperazine-1-carboxylate?
The InChIKey is JGRGAYZRBZKECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-13(2,3)23-12(22)21-6-4-20(5-7-21)11-9-18-10(8-19-11)14(15,16)17/h9-10H,4-8H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]piperazine-1-carboxylate?
tert-butyl 4-[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]piperazine-1-carboxylate has a molecular weight of 334.34 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(trifluoromethyl)-2,3-dihydropyrazin-5-yl]piperazine-1-carboxylate is sourced from PubChem (CID 162605351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).