tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate

C17H26N2O4 — CID 113077843

IUPACtert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate
SMILESCOc1ccc(OC)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(20)19-10-8-18(9-11-19)14-12-13(21-4)6-7-15(14)22-5/h6-7,12H,8-11H2,1-5H3
InChIKeyJEUNQUUVKXDHJP-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.76
Rot. Bonds3

About tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate

tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate (PubChem CID 113077843) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate
PubChem CID113077843
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nametert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate
SMILESCOc1ccc(OC)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-16(20)19-10-8-18(9-11-19)14-12-13(21-4)6-7-15(14)22-5/h6-7,12H,8-11H2,1-5H3
InChIKeyJEUNQUUVKXDHJP-UHFFFAOYSA-N
XLogP2.76
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone
CID 113077809
tert-butyl 4-[5-methoxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylate
CID 68976025
[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113077801
tert-butyl 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 9034002
N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 113110606
2-(4-chlorophenyl)-1-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 113077817
tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
CID 70571171
tert-butyl 4-[5-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate
CID 166461747
tert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 171985225
tert-butyl 4-[N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111058415
tert-butyl 4-[5-[(3-methoxyphenyl)sulfonylmethyl]-2-(trifluoromethoxy)phenyl]piperazine-1-carboxylate
CID 58223218
tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate
CID 121260807

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate (CID 113077843) is tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate is COc1ccc(OC)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate?
The InChIKey is JEUNQUUVKXDHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-17(2,3)23-16(20)19-10-8-18(9-11-19)14-12-13(21-4)6-7-15(14)22-5/h6-7,12H,8-11H2,1-5H3.
What are the key properties of tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate?
tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 113077843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).