tert-butyl 4-(2H-tetrazol-5-ylmethyl)piperazine-1-carboxylate

C11H20N6O2 — CID 67972343

IUPACtert-butyl 4-(2H-tetrazol-5-ylmethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(Cc2nn[nH]n2)CC1
InChIInChI=1S/C11H20N6O2/c1-11(2,3)19-10(18)17-6-4-16(5-7-17)8-9-12-14-15-13-9/h4-8H2,1-3H3,(H,12,13,14,15)
InChIKeyFMAGTKGXEWBMFR-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.25
Rot. Bonds2

About tert-butyl 4-(2H-tetrazol-5-ylmethyl)piperazine-1-carboxylate

tert-butyl 4-(2H-tetrazol-5-ylmethyl)piperazine-1-carboxylate (PubChem CID 67972343) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is tert-butyl 4-(2H-tetrazol-5-ylmethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2H-tetrazol-5-ylmethyl)piperazine-1-carboxylate
PubChem CID67972343
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Nametert-butyl 4-(2H-tetrazol-5-ylmethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(Cc2nn[nH]n2)CC1
InChIInChI=1S/C11H20N6O2/c1-11(2,3)19-10(18)17-6-4-16(5-7-17)8-9-12-14-15-13-9/h4-8H2,1-3H3,(H,12,13,14,15)
InChIKeyFMAGTKGXEWBMFR-UHFFFAOYSA-N
XLogP0.25
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]piperazine-1-carboxylate
CID 112721914
tert-butyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate;ethane
CID 143091032
tert-butyl 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperazine-1-carboxylate
CID 114518367
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
tert-butyl 4-[(2-aminopyrimidin-5-yl)methyl]piperazine-1-carboxylate
CID 122657592
tert-butyl 4-[(3-ethoxycarbonyl-1H-pyrazol-5-yl)methyl]piperazine-1-carboxylate
CID 134413991
tert-butyl 4-[(2-iodocyclohexen-1-yl)methyl]piperazine-1-carboxylate
CID 70649261
tert-butyl 4-[[4-(aminomethyl)phenyl]methyl]piperazine-1-carboxylate
CID 103616556
tert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazine-1-carboxylate
CID 75526866
tert-butyl 4-(methylsulfanylmethyl)piperazine-1-carboxylate
CID 68549391
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
CID 143188940

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2H-tetrazol-5-ylmethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2H-tetrazol-5-ylmethyl)piperazine-1-carboxylate (CID 67972343) is tert-butyl 4-(2H-tetrazol-5-ylmethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2H-tetrazol-5-ylmethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2H-tetrazol-5-ylmethyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(Cc2nn[nH]n2)CC1.
What is the InChIKey of tert-butyl 4-(2H-tetrazol-5-ylmethyl)piperazine-1-carboxylate?
The InChIKey is FMAGTKGXEWBMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-11(2,3)19-10(18)17-6-4-16(5-7-17)8-9-12-14-15-13-9/h4-8H2,1-3H3,(H,12,13,14,15).
What are the key properties of tert-butyl 4-(2H-tetrazol-5-ylmethyl)piperazine-1-carboxylate?
tert-butyl 4-(2H-tetrazol-5-ylmethyl)piperazine-1-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2H-tetrazol-5-ylmethyl)piperazine-1-carboxylate is sourced from PubChem (CID 67972343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).