1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine

C16H25FN2O — CID 102879490

IUPAC1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
SMILESCOc1ccc(CN2CCNCC2CC(C)C)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-12(2)8-14-10-18-6-7-19(14)11-13-4-5-15(20-3)9-16(13)17/h4-5,9,12,14,18H,6-8,10-11H2,1-3H3
InChIKeyZNNSUNPIDLQSGA-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.65
Rot. Bonds5

About 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine

1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine (PubChem CID 102879490) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
PubChem CID102879490
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
SMILESCOc1ccc(CN2CCNCC2CC(C)C)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-12(2)8-14-10-18-6-7-19(14)11-13-4-5-15(20-3)9-16(13)17/h4-5,9,12,14,18H,6-8,10-11H2,1-3H3
InChIKeyZNNSUNPIDLQSGA-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
CID 102879474
2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine
CID 102879475
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 64846052
1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide
CID 102877782
1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide
CID 102877786
1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 102880149
1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine
CID 65441884
methyl 2-[[(2S)-2-(2-methylpropyl)piperazin-1-yl]methyl]benzoate
CID 45072969
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-propan-2-ylpiperazin-2-yl]ethanol
CID 45222201
1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64833925
1-[2-(4-chlorophenoxy)ethyl]-2-(2-methylpropyl)piperazine
CID 82251821
2-[[(2R)-2-(2-methylpropyl)piperazin-1-yl]methyl]benzoic acid
CID 45072806

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine (CID 102879490) is 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine is COc1ccc(CN2CCNCC2CC(C)C)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine?
The InChIKey is ZNNSUNPIDLQSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(2)8-14-10-18-6-7-19(14)11-13-4-5-15(20-3)9-16(13)17/h4-5,9,12,14,18H,6-8,10-11H2,1-3H3.
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine?
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine has a molecular weight of 280.39 g/mol, XLogP of 2.65, 5 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]-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 102879490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).