1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine

C13H19FN2O — CID 84700768

IUPAC1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
SMILESCOc1cc(F)cc(CN2CCNCC2)c1C
InChIInChI=1S/C13H19FN2O/c1-10-11(7-12(14)8-13(10)17-2)9-16-5-3-15-4-6-16/h7-8,15H,3-6,9H2,1-2H3
InChIKeyYSQJIOLQFWHXKU-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.55
Rot. Bonds3

About 1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine

1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine (PubChem CID 84700768) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
PubChem CID84700768
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
SMILESCOc1cc(F)cc(CN2CCNCC2)c1C
InChIInChI=1S/C13H19FN2O/c1-10-11(7-12(14)8-13(10)17-2)9-16-5-3-15-4-6-16/h7-8,15H,3-6,9H2,1-2H3
InChIKeyYSQJIOLQFWHXKU-UHFFFAOYSA-N
XLogP1.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 83842778
1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine
CID 117349508
1-[(3-methoxy-2-methylphenyl)methyl]piperazine
CID 83707267
1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine
CID 117457867
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
1-[(5-fluoro-2-methoxy-3-methylsulfanylphenyl)methyl]piperazine
CID 117429286
1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine
CID 84788709
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
1-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperazine
CID 117454038
1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine
CID 117446549
1-[(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 117434676
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine (CID 84700768) is 1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine is COc1cc(F)cc(CN2CCNCC2)c1C.
What is the InChIKey of 1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine?
The InChIKey is YSQJIOLQFWHXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10-11(7-12(14)8-13(10)17-2)9-16-5-3-15-4-6-16/h7-8,15H,3-6,9H2,1-2H3.
What are the key properties of 1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine?
1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine has a molecular weight of 238.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine is sourced from PubChem (CID 84700768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).