2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]morpholine

C12H25N3O — CID 63621251

IUPAC2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]morpholine
SMILESCCC1CN(CC2CNCCO2)CCN1C
InChIInChI=1S/C12H25N3O/c1-3-11-9-15(6-5-14(11)2)10-12-8-13-4-7-16-12/h11-13H,3-10H2,1-2H3
InChIKeyPJPJWNBJVCSKRO-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.00
Rot. Bonds3

About 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]morpholine

2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]morpholine (PubChem CID 63621251) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]morpholine
PubChem CID63621251
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]morpholine
SMILESCCC1CN(CC2CNCCO2)CCN1C
InChIInChI=1S/C12H25N3O/c1-3-11-9-15(6-5-14(11)2)10-12-8-13-4-7-16-12/h11-13H,3-10H2,1-2H3
InChIKeyPJPJWNBJVCSKRO-UHFFFAOYSA-N
XLogP0.00
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylpiperazin-1-yl)methyl]morpholine
CID 14627568
2-(azetidin-1-ylmethyl)morpholine
CID 68846635
2-[(3-methylazetidin-1-yl)methyl]morpholine
CID 115324331
2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]morpholine
CID 81199769
(2R)-2-(piperidin-1-ylmethyl)morpholine
CID 7107506
2-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride
CID 53407663
2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine
CID 103533931
2-[(3-tert-butylazetidin-1-yl)methyl]morpholine
CID 115324324
3-(morpholin-2-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66394047
2-ethylmorpholine;1-methylpyrrolidine
CID 67235246
4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine
CID 66474133
2-[2-(3-ethylpiperidin-1-yl)ethyl]morpholine
CID 66427069

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]morpholine?
The IUPAC name of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]morpholine (CID 63621251) is 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]morpholine.
What is the SMILES notation for 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]morpholine?
The canonical SMILES for 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]morpholine is CCC1CN(CC2CNCCO2)CCN1C.
What is the InChIKey of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]morpholine?
The InChIKey is PJPJWNBJVCSKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-11-9-15(6-5-14(11)2)10-12-8-13-4-7-16-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]morpholine?
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]morpholine has a molecular weight of 227.35 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]morpholine is sourced from PubChem (CID 63621251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).