1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine

C13H19FN2O — CID 117349508

IUPAC1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine
SMILESCOc1cc(F)c(C)cc1CN1CCNCC1
InChIInChI=1S/C13H19FN2O/c1-10-7-11(13(17-2)8-12(10)14)9-16-5-3-15-4-6-16/h7-8,15H,3-6,9H2,1-2H3
InChIKeyGQTJAOPXOQJYOE-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.55
Rot. Bonds3

About 1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine

1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine (PubChem CID 117349508) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine
PubChem CID117349508
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine
SMILESCOc1cc(F)c(C)cc1CN1CCNCC1
InChIInChI=1S/C13H19FN2O/c1-10-7-11(13(17-2)8-12(10)14)9-16-5-3-15-4-6-16/h7-8,15H,3-6,9H2,1-2H3
InChIKeyGQTJAOPXOQJYOE-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-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768
1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
CID 117384392
1-[[5-(difluoromethyl)-2,4-dimethoxyphenyl]methyl]piperazine
CID 117461783
1-[(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazine
CID 117446549
1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 117489558
1-[(3-fluoro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 83842778
1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine
CID 117457867
1-[(2-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390256
7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83957040
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
1-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperazine
CID 117454038

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine (CID 117349508) is 1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine is COc1cc(F)c(C)cc1CN1CCNCC1.
What is the InChIKey of 1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine?
The InChIKey is GQTJAOPXOQJYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10-7-11(13(17-2)8-12(10)14)9-16-5-3-15-4-6-16/h7-8,15H,3-6,9H2,1-2H3.
What are the key properties of 1-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine?
1-[(4-fluoro-2-methoxy-5-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-[(4-fluoro-2-methoxy-5-methylphenyl)methyl]piperazine is sourced from PubChem (CID 117349508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).