tert-butyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate

C15H29N3O3 — CID 46743083

IUPACtert-butyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(19)18-8-6-16(7-9-18)4-5-17-10-12-20-13-11-17/h4-13H2,1-3H3
InChIKeyJLVSOPPOLNBGDY-UHFFFAOYSA-N
MW299.41 g/mol
LogP0.87
Rot. Bonds3

About tert-butyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate

tert-butyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate (PubChem CID 46743083) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate
PubChem CID46743083
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Nametert-butyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(19)18-8-6-16(7-9-18)4-5-17-10-12-20-13-11-17/h4-13H2,1-3H3
InChIKeyJLVSOPPOLNBGDY-UHFFFAOYSA-N
XLogP0.87
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate (CID 46743083) is tert-butyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of tert-butyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate?
The InChIKey is JLVSOPPOLNBGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-15(2,3)21-14(19)18-8-6-16(7-9-18)4-5-17-10-12-20-13-11-17/h4-13H2,1-3H3.
What are the key properties of tert-butyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate?
tert-butyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate is sourced from PubChem (CID 46743083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).