1-[1-(4-fluorophenyl)-2-phenylmethoxyethyl]piperazine

C19H23FN2O — CID 54080646

IUPAC1-[1-(4-fluorophenyl)-2-phenylmethoxyethyl]piperazine
SMILESFc1ccc(C(COCc2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C19H23FN2O/c20-18-8-6-17(7-9-18)19(22-12-10-21-11-13-22)15-23-14-16-4-2-1-3-5-16/h1-9,19,21H,10-15H2
InChIKeyMMWAOTPSWVMBEN-UHFFFAOYSA-N
MW314.40 g/mol
LogP2.99
Rot. Bonds6

About 1-[1-(4-fluorophenyl)-2-phenylmethoxyethyl]piperazine

1-[1-(4-fluorophenyl)-2-phenylmethoxyethyl]piperazine (PubChem CID 54080646) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-2-phenylmethoxyethyl]piperazine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-2-phenylmethoxyethyl]piperazine
PubChem CID54080646
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name1-[1-(4-fluorophenyl)-2-phenylmethoxyethyl]piperazine
SMILESFc1ccc(C(COCc2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C19H23FN2O/c20-18-8-6-17(7-9-18)19(22-12-10-21-11-13-22)15-23-14-16-4-2-1-3-5-16/h1-9,19,21H,10-15H2
InChIKeyMMWAOTPSWVMBEN-UHFFFAOYSA-N
XLogP2.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-2-phenylmethoxyethyl]piperazine?
The IUPAC name of 1-[1-(4-fluorophenyl)-2-phenylmethoxyethyl]piperazine (CID 54080646) is 1-[1-(4-fluorophenyl)-2-phenylmethoxyethyl]piperazine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-2-phenylmethoxyethyl]piperazine?
The canonical SMILES for 1-[1-(4-fluorophenyl)-2-phenylmethoxyethyl]piperazine is Fc1ccc(C(COCc2ccccc2)N2CCNCC2)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-2-phenylmethoxyethyl]piperazine?
The InChIKey is MMWAOTPSWVMBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c20-18-8-6-17(7-9-18)19(22-12-10-21-11-13-22)15-23-14-16-4-2-1-3-5-16/h1-9,19,21H,10-15H2.
What are the key properties of 1-[1-(4-fluorophenyl)-2-phenylmethoxyethyl]piperazine?
1-[1-(4-fluorophenyl)-2-phenylmethoxyethyl]piperazine has a molecular weight of 314.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-2-phenylmethoxyethyl]piperazine is sourced from PubChem (CID 54080646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).