tert-butyl 4-ethylpiperazine-1-carboxylate;formic acid

C12H24N2O4 — CID 170976729

IUPACtert-butyl 4-ethylpiperazine-1-carboxylate;formic acid
SMILESCCN1CCN(C(=O)OC(C)(C)C)CC1.O=CO
InChIInChI=1S/C11H22N2O2.CH2O2/c1-5-12-6-8-13(9-7-12)10(14)15-11(2,3)4;2-1-3/h5-9H2,1-4H3;1H,(H,2,3)
InChIKeyMIZOJOOATMXIDO-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.26
Rot. Bonds1

About tert-butyl 4-ethylpiperazine-1-carboxylate;formic acid

tert-butyl 4-ethylpiperazine-1-carboxylate;formic acid (PubChem CID 170976729) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is tert-butyl 4-ethylpiperazine-1-carboxylate;formic acid.

Molecular Properties

Compound Nametert-butyl 4-ethylpiperazine-1-carboxylate;formic acid
PubChem CID170976729
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Nametert-butyl 4-ethylpiperazine-1-carboxylate;formic acid
SMILESCCN1CCN(C(=O)OC(C)(C)C)CC1.O=CO
InChIInChI=1S/C11H22N2O2.CH2O2/c1-5-12-6-8-13(9-7-12)10(14)15-11(2,3)4;2-1-3/h5-9H2,1-4H3;1H,(H,2,3)
InChIKeyMIZOJOOATMXIDO-UHFFFAOYSA-N
XLogP1.26
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
4-O-tert-butyl 1-O-propan-2-yl piperazine-1,4-dicarboxylate;formic acid
CID 142002254
tert-butyl pyrrolidine-1-carboxylate;difluoromethane;formic acid
CID 177206758
2-ethyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]but-2-enoic acid
CID 104933613
tert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate
CID 107243537
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
CID 143188940
tert-butyl 4-(methylsulfanylmethyl)piperazine-1-carboxylate
CID 68549391
tert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-1-carboxylate
CID 114518427
tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane
CID 90729133
tert-butyl 4-[(2S)-2-hydroxybutyl]piperazine-1-carboxylate
CID 124576249
tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 145230287
tert-butyl 4-formyloxypiperazine-1-carboxylate
CID 22380553

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethylpiperazine-1-carboxylate;formic acid?
The IUPAC name of tert-butyl 4-ethylpiperazine-1-carboxylate;formic acid (CID 170976729) is tert-butyl 4-ethylpiperazine-1-carboxylate;formic acid.
What is the SMILES notation for tert-butyl 4-ethylpiperazine-1-carboxylate;formic acid?
The canonical SMILES for tert-butyl 4-ethylpiperazine-1-carboxylate;formic acid is CCN1CCN(C(=O)OC(C)(C)C)CC1.O=CO.
What is the InChIKey of tert-butyl 4-ethylpiperazine-1-carboxylate;formic acid?
The InChIKey is MIZOJOOATMXIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.CH2O2/c1-5-12-6-8-13(9-7-12)10(14)15-11(2,3)4;2-1-3/h5-9H2,1-4H3;1H,(H,2,3).
What are the key properties of tert-butyl 4-ethylpiperazine-1-carboxylate;formic acid?
tert-butyl 4-ethylpiperazine-1-carboxylate;formic acid has a molecular weight of 260.33 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethylpiperazine-1-carboxylate;formic acid is sourced from PubChem (CID 170976729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).