1-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine

C15H21FN6 — CID 71294259

IUPAC1-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine
SMILESFCCCn1cc(CN2CCN(c3ccccn3)CC2)nn1
InChIInChI=1S/C15H21FN6/c16-5-3-7-22-13-14(18-19-22)12-20-8-10-21(11-9-20)15-4-1-2-6-17-15/h1-2,4,6,13H,3,5,7-12H2
InChIKeySHZHTSXKTYTTGK-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.35
Rot. Bonds6

About 1-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine

1-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine (PubChem CID 71294259) has the molecular formula C15H21FN6 and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine
PubChem CID71294259
Molecular FormulaC15H21FN6
Molecular Weight304.37 g/mol
Exact Mass304.18
IUPAC Name1-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine
SMILESFCCCn1cc(CN2CCN(c3ccccn3)CC2)nn1
InChIInChI=1S/C15H21FN6/c16-5-3-7-22-13-14(18-19-22)12-20-8-10-21(11-9-20)15-4-1-2-6-17-15/h1-2,4,6,13H,3,5,7-12H2
InChIKeySHZHTSXKTYTTGK-UHFFFAOYSA-N
XLogP1.35
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine (CID 71294259) is 1-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine is FCCCn1cc(CN2CCN(c3ccccn3)CC2)nn1.
What is the InChIKey of 1-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is SHZHTSXKTYTTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN6/c16-5-3-7-22-13-14(18-19-22)12-20-8-10-21(11-9-20)15-4-1-2-6-17-15/h1-2,4,6,13H,3,5,7-12H2.
What are the key properties of 1-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine?
1-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 304.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-fluoropropyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 71294259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).