tert-butyl 4-[6-(4-ethylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate

C21H34N4O2 — CID 129075221

IUPACtert-butyl 4-[6-(4-ethylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate
SMILESCCC1CCC(c2cncc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1
InChIInChI=1S/C21H34N4O2/c1-5-16-6-8-17(9-7-16)18-14-22-15-19(23-18)24-10-12-25(13-11-24)20(26)27-21(2,3)4/h14-17H,5-13H2,1-4H3
InChIKeyCHBAIXZDPPDFFD-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.22
Rot. Bonds3

About tert-butyl 4-[6-(4-ethylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate

tert-butyl 4-[6-(4-ethylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate (PubChem CID 129075221) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is tert-butyl 4-[6-(4-ethylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-(4-ethylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate
PubChem CID129075221
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Nametert-butyl 4-[6-(4-ethylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate
SMILESCCC1CCC(c2cncc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1
InChIInChI=1S/C21H34N4O2/c1-5-16-6-8-17(9-7-16)18-14-22-15-19(23-18)24-10-12-25(13-11-24)20(26)27-21(2,3)4/h14-17H,5-13H2,1-4H3
InChIKeyCHBAIXZDPPDFFD-UHFFFAOYSA-N
XLogP4.22
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(4-ethylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-(4-ethylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate (CID 129075221) is tert-butyl 4-[6-(4-ethylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-(4-ethylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-(4-ethylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate is CCC1CCC(c2cncc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1.
What is the InChIKey of tert-butyl 4-[6-(4-ethylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate?
The InChIKey is CHBAIXZDPPDFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-5-16-6-8-17(9-7-16)18-14-22-15-19(23-18)24-10-12-25(13-11-24)20(26)27-21(2,3)4/h14-17H,5-13H2,1-4H3.
What are the key properties of tert-butyl 4-[6-(4-ethylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[6-(4-ethylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate has a molecular weight of 374.53 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-(4-ethylcyclohexyl)pyrazin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 129075221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).