1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-methoxypiperidine

C14H17FN4O — CID 122154238

IUPAC1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-methoxypiperidine
SMILESCOC1CCN(c2ncn(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C14H17FN4O/c1-20-13-6-8-18(9-7-13)14-16-10-19(17-14)12-4-2-11(15)3-5-12/h2-5,10,13H,6-9H2,1H3
InChIKeyIOORNAWXTNXZGK-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.02
Rot. Bonds3

About 1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-methoxypiperidine

1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-methoxypiperidine (PubChem CID 122154238) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-methoxypiperidine
PubChem CID122154238
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-methoxypiperidine
SMILESCOC1CCN(c2ncn(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C14H17FN4O/c1-20-13-6-8-18(9-7-13)14-16-10-19(17-14)12-4-2-11(15)3-5-12/h2-5,10,13H,6-9H2,1H3
InChIKeyIOORNAWXTNXZGK-UHFFFAOYSA-N
XLogP2.02
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-methoxypiperidine?
The IUPAC name of 1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-methoxypiperidine (CID 122154238) is 1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-methoxypiperidine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-methoxypiperidine?
The canonical SMILES for 1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-methoxypiperidine is COC1CCN(c2ncn(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-methoxypiperidine?
The InChIKey is IOORNAWXTNXZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-20-13-6-8-18(9-7-13)14-16-10-19(17-14)12-4-2-11(15)3-5-12/h2-5,10,13H,6-9H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-methoxypiperidine?
1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-methoxypiperidine has a molecular weight of 276.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]-4-methoxypiperidine is sourced from PubChem (CID 122154238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).