4-[4-(3,5-dimethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

C18H30N6O2 — CID 43993997

IUPAC4-[4-(3,5-dimethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESCC1CC(C)CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C18H30N6O2/c1-14-11-15(2)13-24(12-14)18-20-16(22-3-7-25-8-4-22)19-17(21-18)23-5-9-26-10-6-23/h14-15H,3-13H2,1-2H3
InChIKeyHOHXLQTXUIYSDO-UHFFFAOYSA-N
MW362.48 g/mol
LogP1.03
Rot. Bonds3

About 4-[4-(3,5-dimethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

4-[4-(3,5-dimethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 43993997) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-[4-(3,5-dimethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3,5-dimethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID43993997
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name4-[4-(3,5-dimethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESCC1CC(C)CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C18H30N6O2/c1-14-11-15(2)13-24(12-14)18-20-16(22-3-7-25-8-4-22)19-17(21-18)23-5-9-26-10-6-23/h14-15H,3-13H2,1-2H3
InChIKeyHOHXLQTXUIYSDO-UHFFFAOYSA-N
XLogP1.03
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(3,5-dimethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (CID 43993997) is 4-[4-(3,5-dimethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(3,5-dimethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(3,5-dimethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is CC1CC(C)CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)C1.
What is the InChIKey of 4-[4-(3,5-dimethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is HOHXLQTXUIYSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-14-11-15(2)13-24(12-14)18-20-16(22-3-7-25-8-4-22)19-17(21-18)23-5-9-26-10-6-23/h14-15H,3-13H2,1-2H3.
What are the key properties of 4-[4-(3,5-dimethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-(3,5-dimethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 362.48 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethylpiperidin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 43993997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).