1-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine

C19H23FN2O — CID 67327612

IUPAC1-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine
SMILESFc1ccc(COCc2ccc(CN3CCNCC3)cc2)cc1
InChIInChI=1S/C19H23FN2O/c20-19-7-5-18(6-8-19)15-23-14-17-3-1-16(2-4-17)13-22-11-9-21-10-12-22/h1-8,21H,9-15H2
InChIKeyHHVMGFOPIUIOFU-UHFFFAOYSA-N
MW314.40 g/mol
LogP2.95
Rot. Bonds6

About 1-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine

1-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine (PubChem CID 67327612) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine
PubChem CID67327612
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name1-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine
SMILESFc1ccc(COCc2ccc(CN3CCNCC3)cc2)cc1
InChIInChI=1S/C19H23FN2O/c20-19-7-5-18(6-8-19)15-23-14-17-3-1-16(2-4-17)13-22-11-9-21-10-12-22/h1-8,21H,9-15H2
InChIKeyHHVMGFOPIUIOFU-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3,5-Difluorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338530
1-[1-Phenyl-2-[3,5-bis(trifluoromethyl)benzyloxy]ethyl]piperazine
CID 22353151
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(4-fluorophenyl)ethyl]piperazine
CID 44338510
1-[2-[(3,5-Dimethylphenyl)methoxy]-1-phenylethyl]piperazine
CID 44338532
1-[2-[[3-Fluoro-5-(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine
CID 44338546
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(2,3-difluorophenyl)ethyl]piperazine
CID 44338583
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(2-fluorophenyl)ethyl]piperazine
CID 44338618
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(3-propan-2-ylphenyl)ethyl]piperazine
CID 44338646
1-[1-[3,4-Bis(ethenyl)phenyl]-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]piperazine
CID 44358248
1-[1-[2,3-Bis(ethenyl)phenyl]-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]piperazine
CID 44358249
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(3-methylphenyl)ethyl]piperazine
CID 44358280
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(3-fluorophenyl)ethyl]piperazine
CID 44358318

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine?
The IUPAC name of 1-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine (CID 67327612) is 1-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine?
The canonical SMILES for 1-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine is Fc1ccc(COCc2ccc(CN3CCNCC3)cc2)cc1.
What is the InChIKey of 1-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine?
The InChIKey is HHVMGFOPIUIOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c20-19-7-5-18(6-8-19)15-23-14-17-3-1-16(2-4-17)13-22-11-9-21-10-12-22/h1-8,21H,9-15H2.
What are the key properties of 1-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine?
1-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine has a molecular weight of 314.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine is sourced from PubChem (CID 67327612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).