5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine

C17H27FN2O — CID 102879595

IUPAC5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine
SMILESCCC(C)C1CN(Cc2ccc(OC)cc2F)C(C)CN1
InChIInChI=1S/C17H27FN2O/c1-5-12(2)17-11-20(13(3)9-19-17)10-14-6-7-15(21-4)8-16(14)18/h6-8,12-13,17,19H,5,9-11H2,1-4H3
InChIKeyGFFOEZGRDWACOZ-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.04
Rot. Bonds5

About 5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine

5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine (PubChem CID 102879595) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine
PubChem CID102879595
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine
SMILESCCC(C)C1CN(Cc2ccc(OC)cc2F)C(C)CN1
InChIInChI=1S/C17H27FN2O/c1-5-12(2)17-11-20(13(3)9-19-17)10-14-6-7-15(21-4)8-16(14)18/h6-8,12-13,17,19H,5,9-11H2,1-4H3
InChIKeyGFFOEZGRDWACOZ-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
CID 64833514
5-butan-2-yl-1-[(3,5-difluorophenyl)methyl]-2-methylpiperazine
CID 105410061
5-butan-2-yl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64847641
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine
CID 102879444
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
CID 102879474
3-butan-2-yl-1-[(3,4-difluorophenyl)methyl]-7-methyl-1,4-diazepane
CID 82926547
3-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-7-methyl-1,4-diazepane
CID 64871546
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 102877748
5-butan-2-yl-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64847638
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 102879490
1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine
CID 65331441
4-[(5-butan-2-yl-2-methylpiperazin-1-yl)methyl]pyrimidine
CID 114112242

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine?
The IUPAC name of 5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine (CID 102879595) is 5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine is CCC(C)C1CN(Cc2ccc(OC)cc2F)C(C)CN1.
What is the InChIKey of 5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine?
The InChIKey is GFFOEZGRDWACOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-5-12(2)17-11-20(13(3)9-19-17)10-14-6-7-15(21-4)8-16(14)18/h6-8,12-13,17,19H,5,9-11H2,1-4H3.
What are the key properties of 5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine?
5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine has a molecular weight of 294.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine is sourced from PubChem (CID 102879595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).