tert-butyl 4-[(Z)-1-aminoprop-1-en-2-yl]piperazine-1-carboxylate;ethane

C16H35N3O2 — CID 123541126

IUPACtert-butyl 4-[(Z)-1-aminoprop-1-en-2-yl]piperazine-1-carboxylate;ethane
SMILESC/C(=C/N)N1CCN(C(=O)OC(C)(C)C)CC1.CC.CC
InChIInChI=1S/C12H23N3O2.2C2H6/c1-10(9-13)14-5-7-15(8-6-14)11(16)17-12(2,3)4;2*1-2/h9H,5-8,13H2,1-4H3;2*1-2H3/b10-9-;;
InChIKeyLIBSVTIMYZXFGE-XXAVUKJNSA-N
MW301.48 g/mol
LogP3.41
Rot. Bonds1

About tert-butyl 4-[(Z)-1-aminoprop-1-en-2-yl]piperazine-1-carboxylate;ethane

tert-butyl 4-[(Z)-1-aminoprop-1-en-2-yl]piperazine-1-carboxylate;ethane (PubChem CID 123541126) has the molecular formula C16H35N3O2 and a molecular weight of 301.48 g/mol. Its IUPAC name is tert-butyl 4-[(Z)-1-aminoprop-1-en-2-yl]piperazine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-[(Z)-1-aminoprop-1-en-2-yl]piperazine-1-carboxylate;ethane
PubChem CID123541126
Molecular FormulaC16H35N3O2
Molecular Weight301.48 g/mol
Exact Mass301.27
IUPAC Nametert-butyl 4-[(Z)-1-aminoprop-1-en-2-yl]piperazine-1-carboxylate;ethane
SMILESC/C(=C/N)N1CCN(C(=O)OC(C)(C)C)CC1.CC.CC
InChIInChI=1S/C12H23N3O2.2C2H6/c1-10(9-13)14-5-7-15(8-6-14)11(16)17-12(2,3)4;2*1-2/h9H,5-8,13H2,1-4H3;2*1-2H3/b10-9-;;
InChIKeyLIBSVTIMYZXFGE-XXAVUKJNSA-N
XLogP3.41
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 4-aminosulfanylpiperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(Z)-1-aminoprop-1-en-2-yl]piperazine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-[(Z)-1-aminoprop-1-en-2-yl]piperazine-1-carboxylate;ethane (CID 123541126) is tert-butyl 4-[(Z)-1-aminoprop-1-en-2-yl]piperazine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-[(Z)-1-aminoprop-1-en-2-yl]piperazine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-[(Z)-1-aminoprop-1-en-2-yl]piperazine-1-carboxylate;ethane is C/C(=C/N)N1CCN(C(=O)OC(C)(C)C)CC1.CC.CC.
What is the InChIKey of tert-butyl 4-[(Z)-1-aminoprop-1-en-2-yl]piperazine-1-carboxylate;ethane?
The InChIKey is LIBSVTIMYZXFGE-XXAVUKJNSA-N. The full InChI is InChI=1S/C12H23N3O2.2C2H6/c1-10(9-13)14-5-7-15(8-6-14)11(16)17-12(2,3)4;2*1-2/h9H,5-8,13H2,1-4H3;2*1-2H3/b10-9-;;.
What are the key properties of tert-butyl 4-[(Z)-1-aminoprop-1-en-2-yl]piperazine-1-carboxylate;ethane?
tert-butyl 4-[(Z)-1-aminoprop-1-en-2-yl]piperazine-1-carboxylate;ethane has a molecular weight of 301.48 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(Z)-1-aminoprop-1-en-2-yl]piperazine-1-carboxylate;ethane is sourced from PubChem (CID 123541126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).