2-[3-fluoro-4-[2-(4-methylphenyl)piperazin-1-yl]phenoxy]ethanol

C19H23FN2O2 — CID 71021399

IUPAC2-[3-fluoro-4-[2-(4-methylphenyl)piperazin-1-yl]phenoxy]ethanol
SMILESCc1ccc(C2CNCCN2c2ccc(OCCO)cc2F)cc1
InChIInChI=1S/C19H23FN2O2/c1-14-2-4-15(5-3-14)19-13-21-8-9-22(19)18-7-6-16(12-17(18)20)24-11-10-23/h2-7,12,19,21,23H,8-11,13H2,1H3
InChIKeyDRSAPNFTTZRTTI-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.66
Rot. Bonds5

About 2-[3-fluoro-4-[2-(4-methylphenyl)piperazin-1-yl]phenoxy]ethanol

2-[3-fluoro-4-[2-(4-methylphenyl)piperazin-1-yl]phenoxy]ethanol (PubChem CID 71021399) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-[3-fluoro-4-[2-(4-methylphenyl)piperazin-1-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-fluoro-4-[2-(4-methylphenyl)piperazin-1-yl]phenoxy]ethanol
PubChem CID71021399
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name2-[3-fluoro-4-[2-(4-methylphenyl)piperazin-1-yl]phenoxy]ethanol
SMILESCc1ccc(C2CNCCN2c2ccc(OCCO)cc2F)cc1
InChIInChI=1S/C19H23FN2O2/c1-14-2-4-15(5-3-14)19-13-21-8-9-22(19)18-7-6-16(12-17(18)20)24-11-10-23/h2-7,12,19,21,23H,8-11,13H2,1H3
InChIKeyDRSAPNFTTZRTTI-UHFFFAOYSA-N
XLogP2.66
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
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-[3-fluoro-4-[2-(4-methylphenyl)piperazin-1-yl]phenoxy]ethanol?
The IUPAC name of 2-[3-fluoro-4-[2-(4-methylphenyl)piperazin-1-yl]phenoxy]ethanol (CID 71021399) is 2-[3-fluoro-4-[2-(4-methylphenyl)piperazin-1-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[3-fluoro-4-[2-(4-methylphenyl)piperazin-1-yl]phenoxy]ethanol?
The canonical SMILES for 2-[3-fluoro-4-[2-(4-methylphenyl)piperazin-1-yl]phenoxy]ethanol is Cc1ccc(C2CNCCN2c2ccc(OCCO)cc2F)cc1.
What is the InChIKey of 2-[3-fluoro-4-[2-(4-methylphenyl)piperazin-1-yl]phenoxy]ethanol?
The InChIKey is DRSAPNFTTZRTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14-2-4-15(5-3-14)19-13-21-8-9-22(19)18-7-6-16(12-17(18)20)24-11-10-23/h2-7,12,19,21,23H,8-11,13H2,1H3.
What are the key properties of 2-[3-fluoro-4-[2-(4-methylphenyl)piperazin-1-yl]phenoxy]ethanol?
2-[3-fluoro-4-[2-(4-methylphenyl)piperazin-1-yl]phenoxy]ethanol has a molecular weight of 330.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[2-(4-methylphenyl)piperazin-1-yl]phenoxy]ethanol is sourced from PubChem (CID 71021399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).