1-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-4-(6-fluoro-2-pyridinyl)piperazine

C19H27FN6 — CID 71293784

IUPAC1-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-4-(6-fluoro-2-pyridinyl)piperazine
SMILESFc1cccc(N2CCN(Cc3cn(CC4CCCCC4)nn3)CC2)n1
InChIInChI=1S/C19H27FN6/c20-18-7-4-8-19(21-18)25-11-9-24(10-12-25)14-17-15-26(23-22-17)13-16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14H2
InChIKeyBGBOBCZIWDFACJ-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.71
Rot. Bonds5

About 1-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-4-(6-fluoro-2-pyridinyl)piperazine

1-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-4-(6-fluoro-2-pyridinyl)piperazine (PubChem CID 71293784) has the molecular formula C19H27FN6 and a molecular weight of 358.47 g/mol. Its IUPAC name is 1-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-4-(6-fluoro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-4-(6-fluoro-2-pyridinyl)piperazine
PubChem CID71293784
Molecular FormulaC19H27FN6
Molecular Weight358.47 g/mol
Exact Mass358.23
IUPAC Name1-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-4-(6-fluoro-2-pyridinyl)piperazine
SMILESFc1cccc(N2CCN(Cc3cn(CC4CCCCC4)nn3)CC2)n1
InChIInChI=1S/C19H27FN6/c20-18-7-4-8-19(21-18)25-11-9-24(10-12-25)14-17-15-26(23-22-17)13-16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14H2
InChIKeyBGBOBCZIWDFACJ-UHFFFAOYSA-N
XLogP2.71
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-4-(6-fluoro-2-pyridinyl)piperazine?
The IUPAC name of 1-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-4-(6-fluoro-2-pyridinyl)piperazine (CID 71293784) is 1-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-4-(6-fluoro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-4-(6-fluoro-2-pyridinyl)piperazine?
The canonical SMILES for 1-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-4-(6-fluoro-2-pyridinyl)piperazine is Fc1cccc(N2CCN(Cc3cn(CC4CCCCC4)nn3)CC2)n1.
What is the InChIKey of 1-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-4-(6-fluoro-2-pyridinyl)piperazine?
The InChIKey is BGBOBCZIWDFACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN6/c20-18-7-4-8-19(21-18)25-11-9-24(10-12-25)14-17-15-26(23-22-17)13-16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14H2.
What are the key properties of 1-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-4-(6-fluoro-2-pyridinyl)piperazine?
1-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-4-(6-fluoro-2-pyridinyl)piperazine has a molecular weight of 358.47 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-4-(6-fluoro-2-pyridinyl)piperazine is sourced from PubChem (CID 71293784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).