tert-butyl 4-(imidazol-1-ylmethyl)piperazine-1-carboxylate

C13H22N4O2 — CID 16740567

IUPACtert-butyl 4-(imidazol-1-ylmethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(Cn2ccnc2)CC1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)17-8-6-15(7-9-17)11-16-5-4-14-10-16/h4-5,10H,6-9,11H2,1-3H3
InChIKeySEUDYDVIMTUFTP-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.39
Rot. Bonds2

About tert-butyl 4-(imidazol-1-ylmethyl)piperazine-1-carboxylate

tert-butyl 4-(imidazol-1-ylmethyl)piperazine-1-carboxylate (PubChem CID 16740567) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl 4-(imidazol-1-ylmethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(imidazol-1-ylmethyl)piperazine-1-carboxylate
PubChem CID16740567
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Nametert-butyl 4-(imidazol-1-ylmethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(Cn2ccnc2)CC1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)17-8-6-15(7-9-17)11-16-5-4-14-10-16/h4-5,10H,6-9,11H2,1-3H3
InChIKeySEUDYDVIMTUFTP-UHFFFAOYSA-N
XLogP1.39
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(imidazol-1-ylmethyl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[(2-imidazol-1-ylethylamino)methyl]piperidine-1-carboxylate
CID 103730192
tert-butyl 4-(3-imidazol-1-ylpropoxy)-4-methylpiperidine-1-carboxylate
CID 103916001
tert-butyl 4-[N'-[[4-(imidazol-1-ylmethyl)phenyl]methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111064115
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
tert-butyl 4-(2-pyridin-4-ylethyl)piperazine-1-carboxylate
CID 22321631
tert-butyl 4-(methylsulfanylmethyl)piperazine-1-carboxylate
CID 68549391
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
CID 143188940
tert-butyl 6-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 167025601
tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate
CID 82123975
tert-butyl pyrrolidine-1-carboxylate;2H-triazole
CID 162177653
tert-butyl 2-imidazol-1-ylethyl carbonate
CID 58743666
tert-butyl 4-(6-aminohexyl)piperazine-1-carboxylate
CID 171785165

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(imidazol-1-ylmethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(imidazol-1-ylmethyl)piperazine-1-carboxylate (CID 16740567) is tert-butyl 4-(imidazol-1-ylmethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(imidazol-1-ylmethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(imidazol-1-ylmethyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(Cn2ccnc2)CC1.
What is the InChIKey of tert-butyl 4-(imidazol-1-ylmethyl)piperazine-1-carboxylate?
The InChIKey is SEUDYDVIMTUFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)17-8-6-15(7-9-17)11-16-5-4-14-10-16/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of tert-butyl 4-(imidazol-1-ylmethyl)piperazine-1-carboxylate?
tert-butyl 4-(imidazol-1-ylmethyl)piperazine-1-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(imidazol-1-ylmethyl)piperazine-1-carboxylate is sourced from PubChem (CID 16740567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).