1-[3-[(2-fluorophenyl)methoxy]-2-methylphenyl]piperazine

C18H21FN2O — CID 25263307

IUPAC1-[3-[(2-fluorophenyl)methoxy]-2-methylphenyl]piperazine
SMILESCc1c(OCc2ccccc2F)cccc1N1CCNCC1
InChIInChI=1S/C18H21FN2O/c1-14-17(21-11-9-20-10-12-21)7-4-8-18(14)22-13-15-5-2-3-6-16(15)19/h2-8,20H,9-13H2,1H3
InChIKeyGATQWJLXNBMEEE-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.12
Rot. Bonds4

About 1-[3-[(2-fluorophenyl)methoxy]-2-methylphenyl]piperazine

1-[3-[(2-fluorophenyl)methoxy]-2-methylphenyl]piperazine (PubChem CID 25263307) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-[3-[(2-fluorophenyl)methoxy]-2-methylphenyl]piperazine.

Molecular Properties

Compound Name1-[3-[(2-fluorophenyl)methoxy]-2-methylphenyl]piperazine
PubChem CID25263307
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name1-[3-[(2-fluorophenyl)methoxy]-2-methylphenyl]piperazine
SMILESCc1c(OCc2ccccc2F)cccc1N1CCNCC1
InChIInChI=1S/C18H21FN2O/c1-14-17(21-11-9-20-10-12-21)7-4-8-18(14)22-13-15-5-2-3-6-16(15)19/h2-8,20H,9-13H2,1H3
InChIKeyGATQWJLXNBMEEE-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-fluorophenyl)methoxy]-2-methylphenyl]piperazine?
The IUPAC name of 1-[3-[(2-fluorophenyl)methoxy]-2-methylphenyl]piperazine (CID 25263307) is 1-[3-[(2-fluorophenyl)methoxy]-2-methylphenyl]piperazine.
What is the SMILES notation for 1-[3-[(2-fluorophenyl)methoxy]-2-methylphenyl]piperazine?
The canonical SMILES for 1-[3-[(2-fluorophenyl)methoxy]-2-methylphenyl]piperazine is Cc1c(OCc2ccccc2F)cccc1N1CCNCC1.
What is the InChIKey of 1-[3-[(2-fluorophenyl)methoxy]-2-methylphenyl]piperazine?
The InChIKey is GATQWJLXNBMEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-14-17(21-11-9-20-10-12-21)7-4-8-18(14)22-13-15-5-2-3-6-16(15)19/h2-8,20H,9-13H2,1H3.
What are the key properties of 1-[3-[(2-fluorophenyl)methoxy]-2-methylphenyl]piperazine?
1-[3-[(2-fluorophenyl)methoxy]-2-methylphenyl]piperazine has a molecular weight of 300.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-fluorophenyl)methoxy]-2-methylphenyl]piperazine is sourced from PubChem (CID 25263307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).