1-[[2-(2-fluoro-5-methoxyphenyl)phenyl]methyl]piperazine

C18H21FN2O — CID 56701153

IUPAC1-[[2-(2-fluoro-5-methoxyphenyl)phenyl]methyl]piperazine
SMILESCOc1ccc(F)c(-c2ccccc2CN2CCNCC2)c1
InChIInChI=1S/C18H21FN2O/c1-22-15-6-7-18(19)17(12-15)16-5-3-2-4-14(16)13-21-10-8-20-9-11-21/h2-7,12,20H,8-11,13H2,1H3
InChIKeyXFIXJBMUDNZLKB-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.91
Rot. Bonds4

About 1-[[2-(2-fluoro-5-methoxyphenyl)phenyl]methyl]piperazine

1-[[2-(2-fluoro-5-methoxyphenyl)phenyl]methyl]piperazine (PubChem CID 56701153) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-[[2-(2-fluoro-5-methoxyphenyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-(2-fluoro-5-methoxyphenyl)phenyl]methyl]piperazine
PubChem CID56701153
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name1-[[2-(2-fluoro-5-methoxyphenyl)phenyl]methyl]piperazine
SMILESCOc1ccc(F)c(-c2ccccc2CN2CCNCC2)c1
InChIInChI=1S/C18H21FN2O/c1-22-15-6-7-18(19)17(12-15)16-5-3-2-4-14(16)13-21-10-8-20-9-11-21/h2-7,12,20H,8-11,13H2,1H3
InChIKeyXFIXJBMUDNZLKB-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.91
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-5-methoxyphenyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[2-(2-fluoro-5-methoxyphenyl)phenyl]methyl]piperazine (CID 56701153) is 1-[[2-(2-fluoro-5-methoxyphenyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-(2-fluoro-5-methoxyphenyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[2-(2-fluoro-5-methoxyphenyl)phenyl]methyl]piperazine is COc1ccc(F)c(-c2ccccc2CN2CCNCC2)c1.
What is the InChIKey of 1-[[2-(2-fluoro-5-methoxyphenyl)phenyl]methyl]piperazine?
The InChIKey is XFIXJBMUDNZLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-22-15-6-7-18(19)17(12-15)16-5-3-2-4-14(16)13-21-10-8-20-9-11-21/h2-7,12,20H,8-11,13H2,1H3.
What are the key properties of 1-[[2-(2-fluoro-5-methoxyphenyl)phenyl]methyl]piperazine?
1-[[2-(2-fluoro-5-methoxyphenyl)phenyl]methyl]piperazine has a molecular weight of 300.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-fluoro-5-methoxyphenyl)phenyl]methyl]piperazine is sourced from PubChem (CID 56701153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).