2-[4-(2-fluoro-4-propoxyphenyl)piperazin-1-yl]ethanol

C15H23FN2O2 — CID 20770605

IUPAC2-[4-(2-fluoro-4-propoxyphenyl)piperazin-1-yl]ethanol
SMILESCCCOc1ccc(N2CCN(CCO)CC2)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-2-11-20-13-3-4-15(14(16)12-13)18-7-5-17(6-8-18)9-10-19/h3-4,12,19H,2,5-11H2,1H3
InChIKeyDNNBDUNJQOXMHI-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.73
Rot. Bonds6

About 2-[4-(2-fluoro-4-propoxyphenyl)piperazin-1-yl]ethanol

2-[4-(2-fluoro-4-propoxyphenyl)piperazin-1-yl]ethanol (PubChem CID 20770605) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[4-(2-fluoro-4-propoxyphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-fluoro-4-propoxyphenyl)piperazin-1-yl]ethanol
PubChem CID20770605
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[4-(2-fluoro-4-propoxyphenyl)piperazin-1-yl]ethanol
SMILESCCCOc1ccc(N2CCN(CCO)CC2)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-2-11-20-13-3-4-15(14(16)12-13)18-7-5-17(6-8-18)9-10-19/h3-4,12,19H,2,5-11H2,1H3
InChIKeyDNNBDUNJQOXMHI-UHFFFAOYSA-N
XLogP1.73
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-propoxyphenyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2-fluoro-4-propoxyphenyl)piperazin-1-yl]ethanol (CID 20770605) is 2-[4-(2-fluoro-4-propoxyphenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-fluoro-4-propoxyphenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-fluoro-4-propoxyphenyl)piperazin-1-yl]ethanol is CCCOc1ccc(N2CCN(CCO)CC2)c(F)c1.
What is the InChIKey of 2-[4-(2-fluoro-4-propoxyphenyl)piperazin-1-yl]ethanol?
The InChIKey is DNNBDUNJQOXMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-2-11-20-13-3-4-15(14(16)12-13)18-7-5-17(6-8-18)9-10-19/h3-4,12,19H,2,5-11H2,1H3.
What are the key properties of 2-[4-(2-fluoro-4-propoxyphenyl)piperazin-1-yl]ethanol?
2-[4-(2-fluoro-4-propoxyphenyl)piperazin-1-yl]ethanol has a molecular weight of 282.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-4-propoxyphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 20770605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).