4-[4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]morpholine

C13H17ClF3N5O — CID 172818925

IUPAC4-[4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)C1CCN(c2nc(Cl)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C13H17ClF3N5O/c14-10-18-11(20-12(19-10)22-5-7-23-8-6-22)21-3-1-9(2-4-21)13(15,16)17/h9H,1-8H2
InChIKeyTYOFJMXPRCCEIE-UHFFFAOYSA-N
MW351.76 g/mol
LogP2.14
Rot. Bonds2

About 4-[4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]morpholine

4-[4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]morpholine (PubChem CID 172818925) has the molecular formula C13H17ClF3N5O and a molecular weight of 351.76 g/mol. Its IUPAC name is 4-[4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]morpholine
PubChem CID172818925
Molecular FormulaC13H17ClF3N5O
Molecular Weight351.76 g/mol
Exact Mass351.11
IUPAC Name4-[4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)C1CCN(c2nc(Cl)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C13H17ClF3N5O/c14-10-18-11(20-12(19-10)22-5-7-23-8-6-22)21-3-1-9(2-4-21)13(15,16)17/h9H,1-8H2
InChIKeyTYOFJMXPRCCEIE-UHFFFAOYSA-N
XLogP2.14
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]morpholine (CID 172818925) is 4-[4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]morpholine is FC(F)(F)C1CCN(c2nc(Cl)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 4-[4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]morpholine?
The InChIKey is TYOFJMXPRCCEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N5O/c14-10-18-11(20-12(19-10)22-5-7-23-8-6-22)21-3-1-9(2-4-21)13(15,16)17/h9H,1-8H2.
What are the key properties of 4-[4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]morpholine?
4-[4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]morpholine has a molecular weight of 351.76 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 172818925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).