1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine

C15H23FN2O — CID 102879474

IUPAC1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
SMILESCOc1ccc(CN2CCNCC2C(C)C)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-11(2)15-9-17-6-7-18(15)10-12-4-5-13(19-3)8-14(12)16/h4-5,8,11,15,17H,6-7,9-10H2,1-3H3
InChIKeyNWKXPLIHSDVSIC-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.26
Rot. Bonds4

About 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine

1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine (PubChem CID 102879474) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
PubChem CID102879474
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
SMILESCOc1ccc(CN2CCNCC2C(C)C)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-11(2)15-9-17-6-7-18(15)10-12-4-5-13(19-3)8-14(12)16/h4-5,8,11,15,17H,6-7,9-10H2,1-3H3
InChIKeyNWKXPLIHSDVSIC-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64833925
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 102879490
2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine
CID 102879475
1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide
CID 102877782
1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide
CID 102877786
2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine
CID 64846833
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine
CID 102879444
1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 102880149
1-(2,4-dimethoxyphenyl)-2-propan-2-ylpiperazine
CID 64938228
2-butan-2-yl-1-[(2,5-difluorophenyl)methyl]piperazine
CID 64844061
5-butan-2-yl-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 102879595
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine (CID 102879474) is 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine is COc1ccc(CN2CCNCC2C(C)C)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine?
The InChIKey is NWKXPLIHSDVSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(2)15-9-17-6-7-18(15)10-12-4-5-13(19-3)8-14(12)16/h4-5,8,11,15,17H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine?
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine has a molecular weight of 266.36 g/mol, XLogP of 2.26, 4 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-propan-2-ylpiperazine is sourced from PubChem (CID 102879474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).