1-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine

C15H20FN5 — CID 76684294

IUPAC1-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
SMILESFc1ccc(-n2cc(NCCN3CCCCC3)nn2)cc1
InChIInChI=1S/C15H20FN5/c16-13-4-6-14(7-5-13)21-12-15(18-19-21)17-8-11-20-9-2-1-3-10-20/h4-7,12,17H,1-3,8-11H2
InChIKeyLIVKSGGADJVYOA-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.30
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine

1-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine (PubChem CID 76684294) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
PubChem CID76684294
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name1-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
SMILESFc1ccc(-n2cc(NCCN3CCCCC3)nn2)cc1
InChIInChI=1S/C15H20FN5/c16-13-4-6-14(7-5-13)21-12-15(18-19-21)17-8-11-20-9-2-1-3-10-20/h4-7,12,17H,1-3,8-11H2
InChIKeyLIVKSGGADJVYOA-UHFFFAOYSA-N
XLogP2.30
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine (CID 76684294) is 1-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine is Fc1ccc(-n2cc(NCCN3CCCCC3)nn2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The InChIKey is LIVKSGGADJVYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c16-13-4-6-14(7-5-13)21-12-15(18-19-21)17-8-11-20-9-2-1-3-10-20/h4-7,12,17H,1-3,8-11H2.
What are the key properties of 1-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine?
1-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine has a molecular weight of 289.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine is sourced from PubChem (CID 76684294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).