2-chloro-4-(3-fluorophenoxy)-6-piperidin-1-yl-1,3,5-triazine

C14H14ClFN4O — CID 62868282

IUPAC2-chloro-4-(3-fluorophenoxy)-6-piperidin-1-yl-1,3,5-triazine
SMILESFc1cccc(Oc2nc(Cl)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C14H14ClFN4O/c15-12-17-13(20-7-2-1-3-8-20)19-14(18-12)21-11-6-4-5-10(16)9-11/h4-6,9H,1-3,7-8H2
InChIKeyXLGWLKQXKSURGI-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.45
Rot. Bonds3

About 2-chloro-4-(3-fluorophenoxy)-6-piperidin-1-yl-1,3,5-triazine

2-chloro-4-(3-fluorophenoxy)-6-piperidin-1-yl-1,3,5-triazine (PubChem CID 62868282) has the molecular formula C14H14ClFN4O and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-chloro-4-(3-fluorophenoxy)-6-piperidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3-fluorophenoxy)-6-piperidin-1-yl-1,3,5-triazine
PubChem CID62868282
Molecular FormulaC14H14ClFN4O
Molecular Weight308.74 g/mol
Exact Mass308.08
IUPAC Name2-chloro-4-(3-fluorophenoxy)-6-piperidin-1-yl-1,3,5-triazine
SMILESFc1cccc(Oc2nc(Cl)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C14H14ClFN4O/c15-12-17-13(20-7-2-1-3-8-20)19-14(18-12)21-11-6-4-5-10(16)9-11/h4-6,9H,1-3,7-8H2
InChIKeyXLGWLKQXKSURGI-UHFFFAOYSA-N
XLogP3.45
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-fluorophenoxy)-6-piperidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3-fluorophenoxy)-6-piperidin-1-yl-1,3,5-triazine (CID 62868282) is 2-chloro-4-(3-fluorophenoxy)-6-piperidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3-fluorophenoxy)-6-piperidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3-fluorophenoxy)-6-piperidin-1-yl-1,3,5-triazine is Fc1cccc(Oc2nc(Cl)nc(N3CCCCC3)n2)c1.
What is the InChIKey of 2-chloro-4-(3-fluorophenoxy)-6-piperidin-1-yl-1,3,5-triazine?
The InChIKey is XLGWLKQXKSURGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4O/c15-12-17-13(20-7-2-1-3-8-20)19-14(18-12)21-11-6-4-5-10(16)9-11/h4-6,9H,1-3,7-8H2.
What are the key properties of 2-chloro-4-(3-fluorophenoxy)-6-piperidin-1-yl-1,3,5-triazine?
2-chloro-4-(3-fluorophenoxy)-6-piperidin-1-yl-1,3,5-triazine has a molecular weight of 308.74 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-fluorophenoxy)-6-piperidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 62868282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).