2-morpholin-4-ylethyl 4-methylpiperazine-1-carboxylate

C12H23N3O3 — CID 515567

IUPAC2-morpholin-4-ylethyl 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OCCN2CCOCC2)CC1
InChIInChI=1S/C12H23N3O3/c1-13-2-4-15(5-3-13)12(16)18-11-8-14-6-9-17-10-7-14/h2-11H2,1H3
InChIKeyONIYYJDVSHLPIQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.30
Rot. Bonds3

About 2-morpholin-4-ylethyl 4-methylpiperazine-1-carboxylate

2-morpholin-4-ylethyl 4-methylpiperazine-1-carboxylate (PubChem CID 515567) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 4-methylpiperazine-1-carboxylate
PubChem CID515567
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-morpholin-4-ylethyl 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OCCN2CCOCC2)CC1
InChIInChI=1S/C12H23N3O3/c1-13-2-4-15(5-3-13)12(16)18-11-8-14-6-9-17-10-7-14/h2-11H2,1H3
InChIKeyONIYYJDVSHLPIQ-UHFFFAOYSA-N
XLogP-0.30
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 4-methylpiperazine-1-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 4-methylpiperazine-1-carboxylate (CID 515567) is 2-morpholin-4-ylethyl 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 4-methylpiperazine-1-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 4-methylpiperazine-1-carboxylate is CN1CCN(C(=O)OCCN2CCOCC2)CC1.
What is the InChIKey of 2-morpholin-4-ylethyl 4-methylpiperazine-1-carboxylate?
The InChIKey is ONIYYJDVSHLPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-13-2-4-15(5-3-13)12(16)18-11-8-14-6-9-17-10-7-14/h2-11H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl 4-methylpiperazine-1-carboxylate?
2-morpholin-4-ylethyl 4-methylpiperazine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of -0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 515567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).