tert-butyl formate;(2S)-2-ethylpiperazine

C11H24N2O2 — CID 174740431

IUPACtert-butyl formate;(2S)-2-ethylpiperazine
SMILESCC(C)(C)OC=O.CC[C@H]1CNCCN1
InChIInChI=1S/C6H14N2.C5H10O2/c1-2-6-5-7-3-4-8-6;1-5(2,3)7-4-6/h6-8H,2-5H2,1H3;4H,1-3H3/t6-;/m0./s1
InChIKeyQGGYGBRIRIALHT-RGMNGODLSA-N
MW216.32 g/mol
LogP0.92
Rot. Bonds2

About tert-butyl formate;(2S)-2-ethylpiperazine

tert-butyl formate;(2S)-2-ethylpiperazine (PubChem CID 174740431) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is tert-butyl formate;(2S)-2-ethylpiperazine.

Molecular Properties

Compound Nametert-butyl formate;(2S)-2-ethylpiperazine
PubChem CID174740431
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nametert-butyl formate;(2S)-2-ethylpiperazine
SMILESCC(C)(C)OC=O.CC[C@H]1CNCCN1
InChIInChI=1S/C6H14N2.C5H10O2/c1-2-6-5-7-3-4-8-6;1-5(2,3)7-4-6/h6-8H,2-5H2,1H3;4H,1-3H3/t6-;/m0./s1
InChIKeyQGGYGBRIRIALHT-RGMNGODLSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;(2S)-2-ethylpiperazine?
The IUPAC name of tert-butyl formate;(2S)-2-ethylpiperazine (CID 174740431) is tert-butyl formate;(2S)-2-ethylpiperazine.
What is the SMILES notation for tert-butyl formate;(2S)-2-ethylpiperazine?
The canonical SMILES for tert-butyl formate;(2S)-2-ethylpiperazine is CC(C)(C)OC=O.CC[C@H]1CNCCN1.
What is the InChIKey of tert-butyl formate;(2S)-2-ethylpiperazine?
The InChIKey is QGGYGBRIRIALHT-RGMNGODLSA-N. The full InChI is InChI=1S/C6H14N2.C5H10O2/c1-2-6-5-7-3-4-8-6;1-5(2,3)7-4-6/h6-8H,2-5H2,1H3;4H,1-3H3/t6-;/m0./s1.
What are the key properties of tert-butyl formate;(2S)-2-ethylpiperazine?
tert-butyl formate;(2S)-2-ethylpiperazine has a molecular weight of 216.32 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;(2S)-2-ethylpiperazine is sourced from PubChem (CID 174740431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).