2-[4-(2-fluoro-4,5-dimethoxyphenyl)piperazin-1-yl]ethanol

C14H21FN2O3 — CID 23540093

IUPAC2-[4-(2-fluoro-4,5-dimethoxyphenyl)piperazin-1-yl]ethanol
SMILESCOc1cc(F)c(N2CCN(CCO)CC2)cc1OC
InChIInChI=1S/C14H21FN2O3/c1-19-13-9-11(15)12(10-14(13)20-2)17-5-3-16(4-6-17)7-8-18/h9-10,18H,3-8H2,1-2H3
InChIKeyCHFAZKNSJRRDEF-UHFFFAOYSA-N
MW284.33 g/mol
LogP0.96
Rot. Bonds5

About 2-[4-(2-fluoro-4,5-dimethoxyphenyl)piperazin-1-yl]ethanol

2-[4-(2-fluoro-4,5-dimethoxyphenyl)piperazin-1-yl]ethanol (PubChem CID 23540093) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[4-(2-fluoro-4,5-dimethoxyphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-fluoro-4,5-dimethoxyphenyl)piperazin-1-yl]ethanol
PubChem CID23540093
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name2-[4-(2-fluoro-4,5-dimethoxyphenyl)piperazin-1-yl]ethanol
SMILESCOc1cc(F)c(N2CCN(CCO)CC2)cc1OC
InChIInChI=1S/C14H21FN2O3/c1-19-13-9-11(15)12(10-14(13)20-2)17-5-3-16(4-6-17)7-8-18/h9-10,18H,3-8H2,1-2H3
InChIKeyCHFAZKNSJRRDEF-UHFFFAOYSA-N
XLogP0.96
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-4,5-dimethoxyphenyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2-fluoro-4,5-dimethoxyphenyl)piperazin-1-yl]ethanol (CID 23540093) is 2-[4-(2-fluoro-4,5-dimethoxyphenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-fluoro-4,5-dimethoxyphenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-fluoro-4,5-dimethoxyphenyl)piperazin-1-yl]ethanol is COc1cc(F)c(N2CCN(CCO)CC2)cc1OC.
What is the InChIKey of 2-[4-(2-fluoro-4,5-dimethoxyphenyl)piperazin-1-yl]ethanol?
The InChIKey is CHFAZKNSJRRDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-19-13-9-11(15)12(10-14(13)20-2)17-5-3-16(4-6-17)7-8-18/h9-10,18H,3-8H2,1-2H3.
What are the key properties of 2-[4-(2-fluoro-4,5-dimethoxyphenyl)piperazin-1-yl]ethanol?
2-[4-(2-fluoro-4,5-dimethoxyphenyl)piperazin-1-yl]ethanol has a molecular weight of 284.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-4,5-dimethoxyphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 23540093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).