tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride

C11H22ClN3O3 — CID 54759044

IUPACtert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)CN)CC1.Cl
InChIInChI=1S/C11H21N3O3.ClH/c1-11(2,3)17-10(16)14-6-4-13(5-7-14)9(15)8-12;/h4-8,12H2,1-3H3;1H
InChIKeyWMXGPYSLNPZGCD-UHFFFAOYSA-N
MW279.77 g/mol
LogP0.45
Rot. Bonds1

About tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride

tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride (PubChem CID 54759044) has the molecular formula C11H22ClN3O3 and a molecular weight of 279.77 g/mol. Its IUPAC name is tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride
PubChem CID54759044
Molecular FormulaC11H22ClN3O3
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Nametert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)CN)CC1.Cl
InChIInChI=1S/C11H21N3O3.ClH/c1-11(2,3)17-10(16)14-6-4-13(5-7-14)9(15)8-12;/h4-8,12H2,1-3H3;1H
InChIKeyWMXGPYSLNPZGCD-UHFFFAOYSA-N
XLogP0.45
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 15829155
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CID 141354092
tert-butyl 4-(2-aminoacetyl)-2-methylpiperazine-1-carboxylate
CID 66568135
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
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tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate
CID 115047873
tert-butyl 4-(6-aminohexyl)piperazine-1-carboxylate
CID 171785165
tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane
CID 90729133
tert-butyl 4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carboxylate
CID 57420345
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
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CID 86693715

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride (CID 54759044) is tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCN(C(=O)CN)CC1.Cl.
What is the InChIKey of tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride?
The InChIKey is WMXGPYSLNPZGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3.ClH/c1-11(2,3)17-10(16)14-6-4-13(5-7-14)9(15)8-12;/h4-8,12H2,1-3H3;1H.
What are the key properties of tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride?
tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 54759044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).