2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone

C11H21N3O2 — CID 58735477

IUPAC2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone
SMILESCC1CNCCN1CC(=O)N1CCOCC1
InChIInChI=1S/C11H21N3O2/c1-10-8-12-2-3-14(10)9-11(15)13-4-6-16-7-5-13/h10,12H,2-9H2,1H3
InChIKeyGBNMJFWJYNQADO-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.86
Rot. Bonds2

About 2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone

2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone (PubChem CID 58735477) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone
PubChem CID58735477
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone
SMILESCC1CNCCN1CC(=O)N1CCOCC1
InChIInChI=1S/C11H21N3O2/c1-10-8-12-2-3-14(10)9-11(15)13-4-6-16-7-5-13/h10,12H,2-9H2,1H3
InChIKeyGBNMJFWJYNQADO-UHFFFAOYSA-N
XLogP-0.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone (CID 58735477) is 2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone is CC1CNCCN1CC(=O)N1CCOCC1.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is GBNMJFWJYNQADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-10-8-12-2-3-14(10)9-11(15)13-4-6-16-7-5-13/h10,12H,2-9H2,1H3.
What are the key properties of 2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone?
2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 227.31 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 58735477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).