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

C15H18FN5O — CID 729426

IUPAC4-[(4-fluorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(COc2ccc(F)cc2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H18FN5O/c16-11-4-6-12(7-5-11)22-10-13-18-14(17)20-15(19-13)21-8-2-1-3-9-21/h4-7H,1-3,8-10H2,(H2,17,18,19,20)
InChIKeyPZXOJSLIQYTBEM-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.16
Rot. Bonds4

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

4-[(4-fluorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 729426) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4-fluorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID729426
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name4-[(4-fluorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(COc2ccc(F)cc2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H18FN5O/c16-11-4-6-12(7-5-11)22-10-13-18-14(17)20-15(19-13)21-8-2-1-3-9-21/h4-7H,1-3,8-10H2,(H2,17,18,19,20)
InChIKeyPZXOJSLIQYTBEM-UHFFFAOYSA-N
XLogP2.16
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 827417
CID 827417
CID 155531846
CID 155531846
CID 155538814
CID 155538814
CID 155543653
CID 155543653
CID 155547693
CID 155547693
CID 155562918
CID 155562918
CID 155566439
CID 155566439
CID 164610456
CID 164610456
CID 1505203
CID 1505203
CID 2746286
CID 2746286
CID 3080144
CID 3080144
CID 121238070
CID 121238070

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4-fluorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 729426) is 4-[(4-fluorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine is Nc1nc(COc2ccc(F)cc2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-[(4-fluorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is PZXOJSLIQYTBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c16-11-4-6-12(7-5-11)22-10-13-18-14(17)20-15(19-13)21-8-2-1-3-9-21/h4-7H,1-3,8-10H2,(H2,17,18,19,20).
What are the key properties of 4-[(4-fluorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-[(4-fluorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 303.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 729426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).