2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate

C12H25N3O2 — CID 129103300

IUPAC2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CCN(CCN)CC1
InChIInChI=1S/C12H25N3O2/c1-4-12(2,3)17-11(16)15-9-7-14(6-5-13)8-10-15/h4-10,13H2,1-3H3
InChIKeyHFNBMFQDHASDJB-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.89
Rot. Bonds4

About 2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate

2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate (PubChem CID 129103300) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate
PubChem CID129103300
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CCN(CCN)CC1
InChIInChI=1S/C12H25N3O2/c1-4-12(2,3)17-11(16)15-9-7-14(6-5-13)8-10-15/h4-10,13H2,1-3H3
InChIKeyHFNBMFQDHASDJB-UHFFFAOYSA-N
XLogP0.89
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methylbutan-2-yl 4-(2-aminoethyl)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-aminoethyl)piperazine-1-carboxylate;hydrochloride
CID 134159111
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
ethyl 4-(2-aminoethyl)-1,4-diazepane-1-carboxylate
CID 43252392
prop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate
CID 127503309
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
CID 143188940
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
tert-butyl 4-(3-ethoxy-3-oxopropyl)piperazine-1-carboxylate
CID 23000690
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
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-(3-bromopropyl)piperazine-1-carboxylate
CID 15946517

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate?
The IUPAC name of 2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate (CID 129103300) is 2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate.
What is the SMILES notation for 2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate?
The canonical SMILES for 2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate is CCC(C)(C)OC(=O)N1CCN(CCN)CC1.
What is the InChIKey of 2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate?
The InChIKey is HFNBMFQDHASDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-12(2,3)17-11(16)15-9-7-14(6-5-13)8-10-15/h4-10,13H2,1-3H3.
What are the key properties of 2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate?
2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate is sourced from PubChem (CID 129103300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).