2-N,4-N-bis(3-morpholin-4-ylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

C22H40N8O2 — CID 46854211

IUPAC2-N,4-N-bis(3-morpholin-4-ylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESC1CCN(c2nc(NCCCN3CCOCC3)nc(NCCCN3CCOCC3)n2)CC1
InChIInChI=1S/C22H40N8O2/c1-2-10-30(11-3-1)22-26-20(23-6-4-8-28-12-16-31-17-13-28)25-21(27-22)24-7-5-9-29-14-18-32-19-15-29/h1-19H2,(H2,23,24,25,26,27)
InChIKeyMCFLOHWKIMXVJI-UHFFFAOYSA-N
MW448.62 g/mol
LogP1.13
Rot. Bonds11

About 2-N,4-N-bis(3-morpholin-4-ylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(3-morpholin-4-ylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 46854211) has the molecular formula C22H40N8O2 and a molecular weight of 448.62 g/mol. Its IUPAC name is 2-N,4-N-bis(3-morpholin-4-ylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(3-morpholin-4-ylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID46854211
Molecular FormulaC22H40N8O2
Molecular Weight448.62 g/mol
Exact Mass448.33
IUPAC Name2-N,4-N-bis(3-morpholin-4-ylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESC1CCN(c2nc(NCCCN3CCOCC3)nc(NCCCN3CCOCC3)n2)CC1
InChIInChI=1S/C22H40N8O2/c1-2-10-30(11-3-1)22-26-20(23-6-4-8-28-12-16-31-17-13-28)25-21(27-22)24-7-5-9-29-14-18-32-19-15-29/h1-19H2,(H2,23,24,25,26,27)
InChIKeyMCFLOHWKIMXVJI-UHFFFAOYSA-N
XLogP1.13
TPSA90.91 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.62
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3-morpholin-4-ylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(3-morpholin-4-ylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (CID 46854211) is 2-N,4-N-bis(3-morpholin-4-ylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(3-morpholin-4-ylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(3-morpholin-4-ylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is C1CCN(c2nc(NCCCN3CCOCC3)nc(NCCCN3CCOCC3)n2)CC1.
What is the InChIKey of 2-N,4-N-bis(3-morpholin-4-ylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is MCFLOHWKIMXVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N8O2/c1-2-10-30(11-3-1)22-26-20(23-6-4-8-28-12-16-31-17-13-28)25-21(27-22)24-7-5-9-29-14-18-32-19-15-29/h1-19H2,(H2,23,24,25,26,27).
What are the key properties of 2-N,4-N-bis(3-morpholin-4-ylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(3-morpholin-4-ylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 448.62 g/mol, XLogP of 1.13, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3-morpholin-4-ylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 46854211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).