1-[2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl]piperazine

C19H23FN2O — CID 46890442

IUPAC1-[2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl]piperazine
SMILESCOc1cccc(F)c1CC(c1ccccc1)N1CCNCC1
InChIInChI=1S/C19H23FN2O/c1-23-19-9-5-8-17(20)16(19)14-18(15-6-3-2-4-7-15)22-12-10-21-11-13-22/h2-9,18,21H,10-14H2,1H3
InChIKeyFWSGTPZWDAUURJ-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.02
Rot. Bonds5

About 1-[2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl]piperazine

1-[2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl]piperazine (PubChem CID 46890442) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-[2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl]piperazine
PubChem CID46890442
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name1-[2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl]piperazine
SMILESCOc1cccc(F)c1CC(c1ccccc1)N1CCNCC1
InChIInChI=1S/C19H23FN2O/c1-23-19-9-5-8-17(20)16(19)14-18(15-6-3-2-4-7-15)22-12-10-21-11-13-22/h2-9,18,21H,10-14H2,1H3
InChIKeyFWSGTPZWDAUURJ-UHFFFAOYSA-N
XLogP3.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl]piperazine?
The IUPAC name of 1-[2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl]piperazine (CID 46890442) is 1-[2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl]piperazine.
What is the SMILES notation for 1-[2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl]piperazine?
The canonical SMILES for 1-[2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl]piperazine is COc1cccc(F)c1CC(c1ccccc1)N1CCNCC1.
What is the InChIKey of 1-[2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl]piperazine?
The InChIKey is FWSGTPZWDAUURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-23-19-9-5-8-17(20)16(19)14-18(15-6-3-2-4-7-15)22-12-10-21-11-13-22/h2-9,18,21H,10-14H2,1H3.
What are the key properties of 1-[2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl]piperazine?
1-[2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl]piperazine has a molecular weight of 314.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-6-methoxyphenyl)-1-phenylethyl]piperazine is sourced from PubChem (CID 46890442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).