tert-butyl (3R)-3-ethenylpiperazine-1-carboxylate;ethane;molecular hydrogen

C13H28N2O2 — CID 176939375

IUPACtert-butyl (3R)-3-ethenylpiperazine-1-carboxylate;ethane;molecular hydrogen
SMILESC=C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1.CC.[H][H]
InChIInChI=1S/C11H20N2O2.C2H6.H2/c1-5-9-8-13(7-6-12-9)10(14)15-11(2,3)4;1-2;/h5,9,12H,1,6-8H2,2-4H3;1-2H3;1H/t9-;;/m1../s1
InChIKeyHHFWXTZFKYKVMV-KLQYNRQASA-N
MW244.38 g/mol
LogP2.65
Rot. Bonds1

About tert-butyl (3R)-3-ethenylpiperazine-1-carboxylate;ethane;molecular hydrogen

tert-butyl (3R)-3-ethenylpiperazine-1-carboxylate;ethane;molecular hydrogen (PubChem CID 176939375) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl (3R)-3-ethenylpiperazine-1-carboxylate;ethane;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl (3R)-3-ethenylpiperazine-1-carboxylate;ethane;molecular hydrogen
PubChem CID176939375
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl (3R)-3-ethenylpiperazine-1-carboxylate;ethane;molecular hydrogen
SMILESC=C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1.CC.[H][H]
InChIInChI=1S/C11H20N2O2.C2H6.H2/c1-5-9-8-13(7-6-12-9)10(14)15-11(2,3)4;1-2;/h5,9,12H,1,6-8H2,2-4H3;1-2H3;1H/t9-;;/m1../s1
InChIKeyHHFWXTZFKYKVMV-KLQYNRQASA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-ethenylpiperazine-1-carboxylate;ethane;molecular hydrogen?
The IUPAC name of tert-butyl (3R)-3-ethenylpiperazine-1-carboxylate;ethane;molecular hydrogen (CID 176939375) is tert-butyl (3R)-3-ethenylpiperazine-1-carboxylate;ethane;molecular hydrogen.
What is the SMILES notation for tert-butyl (3R)-3-ethenylpiperazine-1-carboxylate;ethane;molecular hydrogen?
The canonical SMILES for tert-butyl (3R)-3-ethenylpiperazine-1-carboxylate;ethane;molecular hydrogen is C=C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1.CC.[H][H].
What is the InChIKey of tert-butyl (3R)-3-ethenylpiperazine-1-carboxylate;ethane;molecular hydrogen?
The InChIKey is HHFWXTZFKYKVMV-KLQYNRQASA-N. The full InChI is InChI=1S/C11H20N2O2.C2H6.H2/c1-5-9-8-13(7-6-12-9)10(14)15-11(2,3)4;1-2;/h5,9,12H,1,6-8H2,2-4H3;1-2H3;1H/t9-;;/m1../s1.
What are the key properties of tert-butyl (3R)-3-ethenylpiperazine-1-carboxylate;ethane;molecular hydrogen?
tert-butyl (3R)-3-ethenylpiperazine-1-carboxylate;ethane;molecular hydrogen has a molecular weight of 244.38 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-ethenylpiperazine-1-carboxylate;ethane;molecular hydrogen is sourced from PubChem (CID 176939375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).