1-[(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine

C19H23FN2O — CID 785703

IUPAC1-[(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESCCOc1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H23FN2O/c1-2-23-19-9-3-16(4-10-19)15-21-11-13-22(14-12-21)18-7-5-17(20)6-8-18/h3-10H,2,11-15H2,1H3
InChIKeyYRWIREYGJCBRGW-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.55
Rot. Bonds5

About 1-[(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine

1-[(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine (PubChem CID 785703) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
PubChem CID785703
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name1-[(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESCCOc1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H23FN2O/c1-2-23-19-9-3-16(4-10-19)15-21-11-13-22(14-12-21)18-7-5-17(20)6-8-18/h3-10H,2,11-15H2,1H3
InChIKeyYRWIREYGJCBRGW-UHFFFAOYSA-N
XLogP3.55
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine (CID 785703) is 1-[(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine is CCOc1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is YRWIREYGJCBRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-2-23-19-9-3-16(4-10-19)15-21-11-13-22(14-12-21)18-7-5-17(20)6-8-18/h3-10H,2,11-15H2,1H3.
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine?
1-[(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 314.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 785703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).