1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol

C15H19FN6O — CID 110880190

IUPAC1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol
SMILESNc1nc(CN2CCC(O)CC2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN6O/c16-10-1-3-11(4-2-10)18-15-20-13(19-14(17)21-15)9-22-7-5-12(23)6-8-22/h1-4,12,23H,5-9H2,(H3,17,18,19,20,21)
InChIKeyANFVWRBOWYHNIQ-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.29
Rot. Bonds4

About 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol

1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol (PubChem CID 110880190) has the molecular formula C15H19FN6O and a molecular weight of 318.36 g/mol. Its IUPAC name is 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol
PubChem CID110880190
Molecular FormulaC15H19FN6O
Molecular Weight318.36 g/mol
Exact Mass318.16
IUPAC Name1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol
SMILESNc1nc(CN2CCC(O)CC2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN6O/c16-10-1-3-11(4-2-10)18-15-20-13(19-14(17)21-15)9-22-7-5-12(23)6-8-22/h1-4,12,23H,5-9H2,(H3,17,18,19,20,21)
InChIKeyANFVWRBOWYHNIQ-UHFFFAOYSA-N
XLogP1.29
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol (CID 110880190) is 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol is Nc1nc(CN2CCC(O)CC2)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol?
The InChIKey is ANFVWRBOWYHNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O/c16-10-1-3-11(4-2-10)18-15-20-13(19-14(17)21-15)9-22-7-5-12(23)6-8-22/h1-4,12,23H,5-9H2,(H3,17,18,19,20,21).
What are the key properties of 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol?
1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol has a molecular weight of 318.36 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 110880190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).