2-(1-ethyl-4-methylpiperazin-2-yl)-4-methyl-6-(2-pyrrolidin-1-ylethyl)morpholine

C18H36N4O — CID 155022649

IUPAC2-(1-ethyl-4-methylpiperazin-2-yl)-4-methyl-6-(2-pyrrolidin-1-ylethyl)morpholine
SMILESCCN1CCN(C)CC1C1CN(C)CC(CCN2CCCC2)O1
InChIInChI=1S/C18H36N4O/c1-4-22-12-11-19(2)14-17(22)18-15-20(3)13-16(23-18)7-10-21-8-5-6-9-21/h16-18H,4-15H2,1-3H3
InChIKeyDRIGTSIVOKWGRQ-UHFFFAOYSA-N
MW324.51 g/mol
LogP0.81
Rot. Bonds5

About 2-(1-ethyl-4-methylpiperazin-2-yl)-4-methyl-6-(2-pyrrolidin-1-ylethyl)morpholine

2-(1-ethyl-4-methylpiperazin-2-yl)-4-methyl-6-(2-pyrrolidin-1-ylethyl)morpholine (PubChem CID 155022649) has the molecular formula C18H36N4O and a molecular weight of 324.51 g/mol. Its IUPAC name is 2-(1-ethyl-4-methylpiperazin-2-yl)-4-methyl-6-(2-pyrrolidin-1-ylethyl)morpholine.

Molecular Properties

Compound Name2-(1-ethyl-4-methylpiperazin-2-yl)-4-methyl-6-(2-pyrrolidin-1-ylethyl)morpholine
PubChem CID155022649
Molecular FormulaC18H36N4O
Molecular Weight324.51 g/mol
Exact Mass324.29
IUPAC Name2-(1-ethyl-4-methylpiperazin-2-yl)-4-methyl-6-(2-pyrrolidin-1-ylethyl)morpholine
SMILESCCN1CCN(C)CC1C1CN(C)CC(CCN2CCCC2)O1
InChIInChI=1S/C18H36N4O/c1-4-22-12-11-19(2)14-17(22)18-15-20(3)13-16(23-18)7-10-21-8-5-6-9-21/h16-18H,4-15H2,1-3H3
InChIKeyDRIGTSIVOKWGRQ-UHFFFAOYSA-N
XLogP0.81
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-methylpiperazin-2-yl)-4-methyl-6-(2-pyrrolidin-1-ylethyl)morpholine?
The IUPAC name of 2-(1-ethyl-4-methylpiperazin-2-yl)-4-methyl-6-(2-pyrrolidin-1-ylethyl)morpholine (CID 155022649) is 2-(1-ethyl-4-methylpiperazin-2-yl)-4-methyl-6-(2-pyrrolidin-1-ylethyl)morpholine.
What is the SMILES notation for 2-(1-ethyl-4-methylpiperazin-2-yl)-4-methyl-6-(2-pyrrolidin-1-ylethyl)morpholine?
The canonical SMILES for 2-(1-ethyl-4-methylpiperazin-2-yl)-4-methyl-6-(2-pyrrolidin-1-ylethyl)morpholine is CCN1CCN(C)CC1C1CN(C)CC(CCN2CCCC2)O1.
What is the InChIKey of 2-(1-ethyl-4-methylpiperazin-2-yl)-4-methyl-6-(2-pyrrolidin-1-ylethyl)morpholine?
The InChIKey is DRIGTSIVOKWGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O/c1-4-22-12-11-19(2)14-17(22)18-15-20(3)13-16(23-18)7-10-21-8-5-6-9-21/h16-18H,4-15H2,1-3H3.
What are the key properties of 2-(1-ethyl-4-methylpiperazin-2-yl)-4-methyl-6-(2-pyrrolidin-1-ylethyl)morpholine?
2-(1-ethyl-4-methylpiperazin-2-yl)-4-methyl-6-(2-pyrrolidin-1-ylethyl)morpholine has a molecular weight of 324.51 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-methylpiperazin-2-yl)-4-methyl-6-(2-pyrrolidin-1-ylethyl)morpholine is sourced from PubChem (CID 155022649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).