1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine

C14H21FN2O — CID 102877748

IUPAC1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine
SMILESCOc1ccc(CN2CC(C)NC(C)C2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-10-7-17(8-11(2)16-10)9-12-4-5-13(18-3)6-14(12)15/h4-6,10-11,16H,7-9H2,1-3H3
InChIKeyXYJUKJFSKUZXJR-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.02
Rot. Bonds3

About 1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine

1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine (PubChem CID 102877748) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine
PubChem CID102877748
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine
SMILESCOc1ccc(CN2CC(C)NC(C)C2)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-10-7-17(8-11(2)16-10)9-12-4-5-13(18-3)6-14(12)15/h4-6,10-11,16H,7-9H2,1-3H3
InChIKeyXYJUKJFSKUZXJR-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 120840123
1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine
CID 102877833
[4-[(2-fluoro-4-methoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935432
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 63863142
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine
CID 102879444
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine
CID 102879115
4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 102876748
1-[(2,5-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 119923904
4-ethoxy-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 77089960
4-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyethyl)morpholine
CID 74247681
methyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylate
CID 102878542

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine (CID 102877748) is 1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine is COc1ccc(CN2CC(C)NC(C)C2)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine?
The InChIKey is XYJUKJFSKUZXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10-7-17(8-11(2)16-10)9-12-4-5-13(18-3)6-14(12)15/h4-6,10-11,16H,7-9H2,1-3H3.
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine?
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine has a molecular weight of 252.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine is sourced from PubChem (CID 102877748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).