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

C16H22FN5 — CID 76683885

IUPAC1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
SMILESFc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1
InChIInChI=1S/C16H22FN5/c17-15-6-4-14(5-7-15)12-22-13-16(19-20-22)18-8-11-21-9-2-1-3-10-21/h4-7,13,18H,1-3,8-12H2
InChIKeyVJTNUVXGKSYZBJ-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.36
Rot. Bonds6

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

1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine (PubChem CID 76683885) has the molecular formula C16H22FN5 and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
PubChem CID76683885
Molecular FormulaC16H22FN5
Molecular Weight303.38 g/mol
Exact Mass303.19
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
SMILESFc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1
InChIInChI=1S/C16H22FN5/c17-15-6-4-14(5-7-15)12-22-13-16(19-20-22)18-8-11-21-9-2-1-3-10-21/h4-7,13,18H,1-3,8-12H2
InChIKeyVJTNUVXGKSYZBJ-UHFFFAOYSA-N
XLogP2.36
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine (CID 76683885) is 1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine is Fc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The InChIKey is VJTNUVXGKSYZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5/c17-15-6-4-14(5-7-15)12-22-13-16(19-20-22)18-8-11-21-9-2-1-3-10-21/h4-7,13,18H,1-3,8-12H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine?
1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine has a molecular weight of 303.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine is sourced from PubChem (CID 76683885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).