tert-butyl 4-ethylpiperazine-1-carboxylate

C11H22N2O2 — CID 21224793

IUPACtert-butyl 4-ethylpiperazine-1-carboxylate
SMILESCCN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H22N2O2/c1-5-12-6-8-13(9-7-12)10(14)15-11(2,3)4/h5-9H2,1-4H3
InChIKeyPJXNBNQHRGADDX-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.56
Rot. Bonds1

About tert-butyl 4-ethylpiperazine-1-carboxylate

tert-butyl 4-ethylpiperazine-1-carboxylate (PubChem CID 21224793) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl 4-ethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-ethylpiperazine-1-carboxylate
PubChem CID21224793
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl 4-ethylpiperazine-1-carboxylate
SMILESCCN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H22N2O2/c1-5-12-6-8-13(9-7-12)10(14)15-11(2,3)4/h5-9H2,1-4H3
InChIKeyPJXNBNQHRGADDX-UHFFFAOYSA-N
XLogP1.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-ethylpiperazine-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-ethylpiperazine-1-carboxylate;formic acid
CID 170976729
tert-butyl 4-(methylsulfanylmethyl)piperazine-1-carboxylate
CID 68549391
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
CID 143188940
tert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-1-carboxylate
CID 114518427
tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 145230287
tert-butyl 4-[(2S)-2-hydroxybutyl]piperazine-1-carboxylate
CID 124576249
tert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)piperazine-1-carboxylate
CID 15718283
tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride
CID 134159111
tert-butyl 4-(3-bromopropyl)piperazine-1-carboxylate
CID 15946517
tert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate
CID 107243537
tert-butyl 4-(diethoxyphosphanylmethyl)piperazine-1-carboxylate
CID 142886255
tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate
CID 82123975

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-ethylpiperazine-1-carboxylate (CID 21224793) is tert-butyl 4-ethylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-ethylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-ethylpiperazine-1-carboxylate is CCN1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-ethylpiperazine-1-carboxylate?
The InChIKey is PJXNBNQHRGADDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-12-6-8-13(9-7-12)10(14)15-11(2,3)4/h5-9H2,1-4H3.
What are the key properties of tert-butyl 4-ethylpiperazine-1-carboxylate?
tert-butyl 4-ethylpiperazine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethylpiperazine-1-carboxylate is sourced from PubChem (CID 21224793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).