1-[2-fluoro-5-(methoxymethyl)phenyl]piperazine

C12H17FN2O — CID 20785286

IUPAC1-[2-fluoro-5-(methoxymethyl)phenyl]piperazine
SMILESCOCc1ccc(F)c(N2CCNCC2)c1
InChIInChI=1S/C12H17FN2O/c1-16-9-10-2-3-11(13)12(8-10)15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3
InChIKeyJDOJBEKKQKCGIG-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.38
Rot. Bonds3

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

1-[2-fluoro-5-(methoxymethyl)phenyl]piperazine (PubChem CID 20785286) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-[2-fluoro-5-(methoxymethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-fluoro-5-(methoxymethyl)phenyl]piperazine
PubChem CID20785286
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-[2-fluoro-5-(methoxymethyl)phenyl]piperazine
SMILESCOCc1ccc(F)c(N2CCNCC2)c1
InChIInChI=1S/C12H17FN2O/c1-16-9-10-2-3-11(13)12(8-10)15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3
InChIKeyJDOJBEKKQKCGIG-UHFFFAOYSA-N
XLogP1.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(methoxymethyl)phenyl]piperazine?
The IUPAC name of 1-[2-fluoro-5-(methoxymethyl)phenyl]piperazine (CID 20785286) is 1-[2-fluoro-5-(methoxymethyl)phenyl]piperazine.
What is the SMILES notation for 1-[2-fluoro-5-(methoxymethyl)phenyl]piperazine?
The canonical SMILES for 1-[2-fluoro-5-(methoxymethyl)phenyl]piperazine is COCc1ccc(F)c(N2CCNCC2)c1.
What is the InChIKey of 1-[2-fluoro-5-(methoxymethyl)phenyl]piperazine?
The InChIKey is JDOJBEKKQKCGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-16-9-10-2-3-11(13)12(8-10)15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3.
What are the key properties of 1-[2-fluoro-5-(methoxymethyl)phenyl]piperazine?
1-[2-fluoro-5-(methoxymethyl)phenyl]piperazine has a molecular weight of 224.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(methoxymethyl)phenyl]piperazine is sourced from PubChem (CID 20785286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).