5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol

C18H21FN2O2 — CID 763644

IUPAC5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CCN(c3ccccc3F)CC2)cc1O
InChIInChI=1S/C18H21FN2O2/c1-23-18-7-6-14(12-17(18)22)13-20-8-10-21(11-9-20)16-5-3-2-4-15(16)19/h2-7,12,22H,8-11,13H2,1H3
InChIKeyTYQWNVKREOIFGY-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.86
Rot. Bonds4

About 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol

5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol (PubChem CID 763644) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol
PubChem CID763644
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2CCN(c3ccccc3F)CC2)cc1O
InChIInChI=1S/C18H21FN2O2/c1-23-18-7-6-14(12-17(18)22)13-20-8-10-21(11-9-20)16-5-3-2-4-15(16)19/h2-7,12,22H,8-11,13H2,1H3
InChIKeyTYQWNVKREOIFGY-UHFFFAOYSA-N
XLogP2.86
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol (CID 763644) is 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol is COc1ccc(CN2CCN(c3ccccc3F)CC2)cc1O.
What is the InChIKey of 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol?
The InChIKey is TYQWNVKREOIFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-23-18-7-6-14(12-17(18)22)13-20-8-10-21(11-9-20)16-5-3-2-4-15(16)19/h2-7,12,22H,8-11,13H2,1H3.
What are the key properties of 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol?
5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol has a molecular weight of 316.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol is sourced from PubChem (CID 763644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).