[1-[5-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine

C15H20FN5 — CID 102800613

IUPAC[1-[5-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
SMILESCc1ccc(-c2nc(N3CCC(CN)CC3)n[nH]2)cc1F
InChIInChI=1S/C15H20FN5/c1-10-2-3-12(8-13(10)16)14-18-15(20-19-14)21-6-4-11(9-17)5-7-21/h2-3,8,11H,4-7,9,17H2,1H3,(H,18,19,20)
InChIKeyWFEWBWFFSZNXCS-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.09
Rot. Bonds3

About [1-[5-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine

[1-[5-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine (PubChem CID 102800613) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is [1-[5-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[5-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
PubChem CID102800613
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name[1-[5-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
SMILESCc1ccc(-c2nc(N3CCC(CN)CC3)n[nH]2)cc1F
InChIInChI=1S/C15H20FN5/c1-10-2-3-12(8-13(10)16)14-18-15(20-19-14)21-6-4-11(9-17)5-7-21/h2-3,8,11H,4-7,9,17H2,1H3,(H,18,19,20)
InChIKeyWFEWBWFFSZNXCS-UHFFFAOYSA-N
XLogP2.09
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[5-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine (CID 102800613) is [1-[5-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[5-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[5-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine is Cc1ccc(-c2nc(N3CCC(CN)CC3)n[nH]2)cc1F.
What is the InChIKey of [1-[5-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The InChIKey is WFEWBWFFSZNXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c1-10-2-3-12(8-13(10)16)14-18-15(20-19-14)21-6-4-11(9-17)5-7-21/h2-3,8,11H,4-7,9,17H2,1H3,(H,18,19,20).
What are the key properties of [1-[5-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
[1-[5-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine has a molecular weight of 289.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 102800613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).