4-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

C20H27FN6O2 — CID 121350344

IUPAC4-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(N2CCOCC2)nc(N2CCC(Oc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C20H27FN6O2/c1-25(2)18-22-19(24-20(23-18)27-11-13-28-14-12-27)26-9-7-17(8-10-26)29-16-5-3-15(21)4-6-16/h3-6,17H,7-14H2,1-2H3
InChIKeyYOFMRBVWZQOFAZ-UHFFFAOYSA-N
MW402.47 g/mol
LogP1.96
Rot. Bonds5

About 4-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 121350344) has the molecular formula C20H27FN6O2 and a molecular weight of 402.47 g/mol. Its IUPAC name is 4-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID121350344
Molecular FormulaC20H27FN6O2
Molecular Weight402.47 g/mol
Exact Mass402.22
IUPAC Name4-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(N2CCOCC2)nc(N2CCC(Oc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C20H27FN6O2/c1-25(2)18-22-19(24-20(23-18)27-11-13-28-14-12-27)26-9-7-17(8-10-26)29-16-5-3-15(21)4-6-16/h3-6,17H,7-14H2,1-2H3
InChIKeyYOFMRBVWZQOFAZ-UHFFFAOYSA-N
XLogP1.96
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 121350344) is 4-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is CN(C)c1nc(N2CCOCC2)nc(N2CCC(Oc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 4-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is YOFMRBVWZQOFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN6O2/c1-25(2)18-22-19(24-20(23-18)27-11-13-28-14-12-27)26-9-7-17(8-10-26)29-16-5-3-15(21)4-6-16/h3-6,17H,7-14H2,1-2H3.
What are the key properties of 4-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 402.47 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 121350344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).