tert-butyl 4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxylate

C14H22N4O3 — CID 8852576

IUPACtert-butyl 4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxylate
SMILESCOc1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(19)18-9-7-17(8-10-18)12-15-6-5-11(16-12)20-4/h5-6H,7-10H2,1-4H3
InChIKeyDNEJXLQUNOPMGD-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.54
Rot. Bonds2

About tert-butyl 4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxylate

tert-butyl 4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxylate (PubChem CID 8852576) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl 4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxylate
PubChem CID8852576
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Nametert-butyl 4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxylate
SMILESCOc1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(19)18-9-7-17(8-10-18)12-15-6-5-11(16-12)20-4/h5-6H,7-10H2,1-4H3
InChIKeyDNEJXLQUNOPMGD-UHFFFAOYSA-N
XLogP1.54
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxylate (CID 8852576) is tert-butyl 4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxylate is COc1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxylate?
The InChIKey is DNEJXLQUNOPMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(2,3)21-13(19)18-9-7-17(8-10-18)12-15-6-5-11(16-12)20-4/h5-6H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 8852576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).