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

C18H21ClFN5O — CID 87727487

IUPAC4-[1-[4-chloro-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperidin-4-yl]morpholine
SMILESFc1cccc(-c2nc(Cl)nc(N3CCC(N4CCOCC4)CC3)n2)c1
InChIInChI=1S/C18H21ClFN5O/c19-17-21-16(13-2-1-3-14(20)12-13)22-18(23-17)25-6-4-15(5-7-25)24-8-10-26-11-9-24/h1-3,12,15H,4-11H2
InChIKeyKMEANEDUNBRNSM-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.63
Rot. Bonds3

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

4-[1-[4-chloro-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperidin-4-yl]morpholine (PubChem CID 87727487) has the molecular formula C18H21ClFN5O and a molecular weight of 377.85 g/mol. Its IUPAC name is 4-[1-[4-chloro-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[4-chloro-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperidin-4-yl]morpholine
PubChem CID87727487
Molecular FormulaC18H21ClFN5O
Molecular Weight377.85 g/mol
Exact Mass377.14
IUPAC Name4-[1-[4-chloro-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperidin-4-yl]morpholine
SMILESFc1cccc(-c2nc(Cl)nc(N3CCC(N4CCOCC4)CC3)n2)c1
InChIInChI=1S/C18H21ClFN5O/c19-17-21-16(13-2-1-3-14(20)12-13)22-18(23-17)25-6-4-15(5-7-25)24-8-10-26-11-9-24/h1-3,12,15H,4-11H2
InChIKeyKMEANEDUNBRNSM-UHFFFAOYSA-N
XLogP2.63
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-chloro-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[4-chloro-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperidin-4-yl]morpholine (CID 87727487) is 4-[1-[4-chloro-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[4-chloro-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[4-chloro-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperidin-4-yl]morpholine is Fc1cccc(-c2nc(Cl)nc(N3CCC(N4CCOCC4)CC3)n2)c1.
What is the InChIKey of 4-[1-[4-chloro-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperidin-4-yl]morpholine?
The InChIKey is KMEANEDUNBRNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN5O/c19-17-21-16(13-2-1-3-14(20)12-13)22-18(23-17)25-6-4-15(5-7-25)24-8-10-26-11-9-24/h1-3,12,15H,4-11H2.
What are the key properties of 4-[1-[4-chloro-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperidin-4-yl]morpholine?
4-[1-[4-chloro-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperidin-4-yl]morpholine has a molecular weight of 377.85 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-chloro-6-(3-fluorophenyl)-1,3,5-triazin-2-yl]piperidin-4-yl]morpholine is sourced from PubChem (CID 87727487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).