1-[[1-(6-fluorohexyl)triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine

C20H30FN5O — CID 72544566

IUPAC1-[[1-(6-fluorohexyl)triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cn(CCCCCCF)nn2)CC1
InChIInChI=1S/C20H30FN5O/c1-27-20-9-5-4-8-19(20)25-14-12-24(13-15-25)16-18-17-26(23-22-18)11-7-3-2-6-10-21/h4-5,8-9,17H,2-3,6-7,10-16H2,1H3
InChIKeyUQNPMHBOQOCPSK-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.14
Rot. Bonds10

About 1-[[1-(6-fluorohexyl)triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine

1-[[1-(6-fluorohexyl)triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 72544566) has the molecular formula C20H30FN5O and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-[[1-(6-fluorohexyl)triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[1-(6-fluorohexyl)triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID72544566
Molecular FormulaC20H30FN5O
Molecular Weight375.49 g/mol
Exact Mass375.24
IUPAC Name1-[[1-(6-fluorohexyl)triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cn(CCCCCCF)nn2)CC1
InChIInChI=1S/C20H30FN5O/c1-27-20-9-5-4-8-19(20)25-14-12-24(13-15-25)16-18-17-26(23-22-18)11-7-3-2-6-10-21/h4-5,8-9,17H,2-3,6-7,10-16H2,1H3
InChIKeyUQNPMHBOQOCPSK-UHFFFAOYSA-N
XLogP3.14
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(6-fluorohexyl)triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[1-(6-fluorohexyl)triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine (CID 72544566) is 1-[[1-(6-fluorohexyl)triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[1-(6-fluorohexyl)triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[1-(6-fluorohexyl)triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(Cc2cn(CCCCCCF)nn2)CC1.
What is the InChIKey of 1-[[1-(6-fluorohexyl)triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is UQNPMHBOQOCPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN5O/c1-27-20-9-5-4-8-19(20)25-14-12-24(13-15-25)16-18-17-26(23-22-18)11-7-3-2-6-10-21/h4-5,8-9,17H,2-3,6-7,10-16H2,1H3.
What are the key properties of 1-[[1-(6-fluorohexyl)triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[[1-(6-fluorohexyl)triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 375.49 g/mol, XLogP of 3.14, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(6-fluorohexyl)triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 72544566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).