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

C11H24ClN3O2 — CID 134159111

IUPACtert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCN(CCN)CC1.Cl
InChIInChI=1S/C11H23N3O2.ClH/c1-11(2,3)16-10(15)14-8-6-13(5-4-12)7-9-14;/h4-9,12H2,1-3H3;1H
InChIKeyILGCMPXMWAERLE-UHFFFAOYSA-N
MW265.78 g/mol
LogP0.92
Rot. Bonds2

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

tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride (PubChem CID 134159111) has the molecular formula C11H24ClN3O2 and a molecular weight of 265.78 g/mol. Its IUPAC name is tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride
PubChem CID134159111
Molecular FormulaC11H24ClN3O2
Molecular Weight265.78 g/mol
Exact Mass265.16
IUPAC Nametert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCN(CCN)CC1.Cl
InChIInChI=1S/C11H23N3O2.ClH/c1-11(2,3)16-10(15)14-8-6-13(5-4-12)7-9-14;/h4-9,12H2,1-3H3;1H
InChIKeyILGCMPXMWAERLE-UHFFFAOYSA-N
XLogP0.92
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(6-aminohexyl)piperazine-1-carboxylate
CID 171785165
tert-butyl 4-[[1-(2-aminoethyl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 176580703
2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate
CID 129103300
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
CID 143188940
tert-butyl 4-(3-bromopropyl)piperazine-1-carboxylate
CID 15946517
tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride
CID 54759044
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate
CID 82123975
tert-butyl 4-(3-ethoxy-3-oxopropyl)piperazine-1-carboxylate
CID 23000690
tert-butyl 2-[4-(2-aminoethyl)piperazin-1-yl]acetate
CID 113366617
tert-butyl 2-[4-(2-aminoethyl)-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 24944493
tert-butyl 4-(2-methylsulfonylethyl)piperazine-1-carboxylate
CID 66649624

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride (CID 134159111) is tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCN(CCN)CC1.Cl.
What is the InChIKey of tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride?
The InChIKey is ILGCMPXMWAERLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2.ClH/c1-11(2,3)16-10(15)14-8-6-13(5-4-12)7-9-14;/h4-9,12H2,1-3H3;1H.
What are the key properties of tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride?
tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride has a molecular weight of 265.78 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 134159111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).