4-[2-[3-(2-morpholin-4-ylethyl)-5-(2-piperidin-1-ylethyl)-1,3,5-triazinan-1-yl]ethyl]morpholine

C22H44N6O2 — CID 59307204

IUPAC4-[2-[3-(2-morpholin-4-ylethyl)-5-(2-piperidin-1-ylethyl)-1,3,5-triazinan-1-yl]ethyl]morpholine
SMILESC1CCN(CCN2CN(CCN3CCOCC3)CN(CCN3CCOCC3)C2)CC1
InChIInChI=1S/C22H44N6O2/c1-2-4-23(5-3-1)6-9-26-20-27(10-7-24-12-16-29-17-13-24)22-28(21-26)11-8-25-14-18-30-19-15-25/h1-22H2
InChIKeyGAPDXYSKMGAHST-UHFFFAOYSA-N
MW424.63 g/mol
LogP-0.07
Rot. Bonds9

About 4-[2-[3-(2-morpholin-4-ylethyl)-5-(2-piperidin-1-ylethyl)-1,3,5-triazinan-1-yl]ethyl]morpholine

4-[2-[3-(2-morpholin-4-ylethyl)-5-(2-piperidin-1-ylethyl)-1,3,5-triazinan-1-yl]ethyl]morpholine (PubChem CID 59307204) has the molecular formula C22H44N6O2 and a molecular weight of 424.63 g/mol. Its IUPAC name is 4-[2-[3-(2-morpholin-4-ylethyl)-5-(2-piperidin-1-ylethyl)-1,3,5-triazinan-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(2-morpholin-4-ylethyl)-5-(2-piperidin-1-ylethyl)-1,3,5-triazinan-1-yl]ethyl]morpholine
PubChem CID59307204
Molecular FormulaC22H44N6O2
Molecular Weight424.63 g/mol
Exact Mass424.35
IUPAC Name4-[2-[3-(2-morpholin-4-ylethyl)-5-(2-piperidin-1-ylethyl)-1,3,5-triazinan-1-yl]ethyl]morpholine
SMILESC1CCN(CCN2CN(CCN3CCOCC3)CN(CCN3CCOCC3)C2)CC1
InChIInChI=1S/C22H44N6O2/c1-2-4-23(5-3-1)6-9-26-20-27(10-7-24-12-16-29-17-13-24)22-28(21-26)11-8-25-14-18-30-19-15-25/h1-22H2
InChIKeyGAPDXYSKMGAHST-UHFFFAOYSA-N
XLogP-0.07
TPSA37.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-morpholin-4-ylethyl)-5-(2-piperidin-1-ylethyl)-1,3,5-triazinan-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-(2-morpholin-4-ylethyl)-5-(2-piperidin-1-ylethyl)-1,3,5-triazinan-1-yl]ethyl]morpholine (CID 59307204) is 4-[2-[3-(2-morpholin-4-ylethyl)-5-(2-piperidin-1-ylethyl)-1,3,5-triazinan-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-(2-morpholin-4-ylethyl)-5-(2-piperidin-1-ylethyl)-1,3,5-triazinan-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-(2-morpholin-4-ylethyl)-5-(2-piperidin-1-ylethyl)-1,3,5-triazinan-1-yl]ethyl]morpholine is C1CCN(CCN2CN(CCN3CCOCC3)CN(CCN3CCOCC3)C2)CC1.
What is the InChIKey of 4-[2-[3-(2-morpholin-4-ylethyl)-5-(2-piperidin-1-ylethyl)-1,3,5-triazinan-1-yl]ethyl]morpholine?
The InChIKey is GAPDXYSKMGAHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N6O2/c1-2-4-23(5-3-1)6-9-26-20-27(10-7-24-12-16-29-17-13-24)22-28(21-26)11-8-25-14-18-30-19-15-25/h1-22H2.
What are the key properties of 4-[2-[3-(2-morpholin-4-ylethyl)-5-(2-piperidin-1-ylethyl)-1,3,5-triazinan-1-yl]ethyl]morpholine?
4-[2-[3-(2-morpholin-4-ylethyl)-5-(2-piperidin-1-ylethyl)-1,3,5-triazinan-1-yl]ethyl]morpholine has a molecular weight of 424.63 g/mol, XLogP of -0.07, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2-morpholin-4-ylethyl)-5-(2-piperidin-1-ylethyl)-1,3,5-triazinan-1-yl]ethyl]morpholine is sourced from PubChem (CID 59307204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).