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

C13H22N4O2 — CID 91396023

IUPACtert-butyl 4-(2,3-dihydropyrazin-5-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2=NCCN=C2)CC1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)17-8-6-16(7-9-17)11-10-14-4-5-15-11/h10H,4-9H2,1-3H3
InChIKeyAMLDIMHYIXMCNW-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.02
Rot. Bonds

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

tert-butyl 4-(2,3-dihydropyrazin-5-yl)piperazine-1-carboxylate (PubChem CID 91396023) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl 4-(2,3-dihydropyrazin-5-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,3-dihydropyrazin-5-yl)piperazine-1-carboxylate
PubChem CID91396023
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Nametert-butyl 4-(2,3-dihydropyrazin-5-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2=NCCN=C2)CC1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)17-8-6-16(7-9-17)11-10-14-4-5-15-11/h10H,4-9H2,1-3H3
InChIKeyAMLDIMHYIXMCNW-UHFFFAOYSA-N
XLogP1.02
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,3-dihydropyrazin-5-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,3-dihydropyrazin-5-yl)piperazine-1-carboxylate (CID 91396023) is tert-butyl 4-(2,3-dihydropyrazin-5-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,3-dihydropyrazin-5-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,3-dihydropyrazin-5-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C2=NCCN=C2)CC1.
What is the InChIKey of tert-butyl 4-(2,3-dihydropyrazin-5-yl)piperazine-1-carboxylate?
The InChIKey is AMLDIMHYIXMCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)17-8-6-16(7-9-17)11-10-14-4-5-15-11/h10H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-(2,3-dihydropyrazin-5-yl)piperazine-1-carboxylate?
tert-butyl 4-(2,3-dihydropyrazin-5-yl)piperazine-1-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,3-dihydropyrazin-5-yl)piperazine-1-carboxylate is sourced from PubChem (CID 91396023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).