tert-butyl 4-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboxylate

C15H29N3O3 — CID 23079658

IUPACtert-butyl 4-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboxylate
SMILESCN1CCOC(CN2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(19)18-7-5-17(6-8-18)12-13-11-16(4)9-10-20-13/h13H,5-12H2,1-4H3
InChIKeyWXPLXKJRDYQQNO-UHFFFAOYSA-N
MW299.41 g/mol
LogP0.87
Rot. Bonds2

About tert-butyl 4-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboxylate

tert-butyl 4-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboxylate (PubChem CID 23079658) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl 4-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboxylate
PubChem CID23079658
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Nametert-butyl 4-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboxylate
SMILESCN1CCOC(CN2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(19)18-7-5-17(6-8-18)12-13-11-16(4)9-10-20-13/h13H,5-12H2,1-4H3
InChIKeyWXPLXKJRDYQQNO-UHFFFAOYSA-N
XLogP0.87
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
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-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboxylate (CID 23079658) is tert-butyl 4-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboxylate is CN1CCOC(CN2CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 4-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboxylate?
The InChIKey is WXPLXKJRDYQQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-15(2,3)21-14(19)18-7-5-17(6-8-18)12-13-11-16(4)9-10-20-13/h13H,5-12H2,1-4H3.
What are the key properties of tert-butyl 4-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboxylate?
tert-butyl 4-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 23079658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).