1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine

C16H25FN2 — CID 64946904

IUPAC1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine
SMILESCc1c(F)cccc1N1CC(CC(C)C)NCC1C
InChIInChI=1S/C16H25FN2/c1-11(2)8-14-10-19(12(3)9-18-14)16-7-5-6-15(17)13(16)4/h5-7,11-12,14,18H,8-10H2,1-4H3
InChIKeyBIMJHKUOWVRHRU-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.35
Rot. Bonds3

About 1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine

1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine (PubChem CID 64946904) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine
PubChem CID64946904
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine
SMILESCc1c(F)cccc1N1CC(CC(C)C)NCC1C
InChIInChI=1S/C16H25FN2/c1-11(2)8-14-10-19(12(3)9-18-14)16-7-5-6-15(17)13(16)4/h5-7,11-12,14,18H,8-10H2,1-4H3
InChIKeyBIMJHKUOWVRHRU-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64935877
1-(3-fluoro-2-methylphenyl)-2,5-dimethylpiperazine
CID 64937185
2-methyl-5-(2-methylpropyl)-1-(2-methylsulfanylphenyl)piperazine
CID 107646391
1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 107603926
1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64930047
1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine
CID 64953125
5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine
CID 64947289
1-(2,6-dibromophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 107603846
2-methyl-5-(2-methylpropyl)-1-(3-methylsulfanylphenyl)piperazine
CID 64934482
1-(3-bromo-2-methylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 107639844
1-(2,4-dibromophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64946822
1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64936226

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine (CID 64946904) is 1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine is Cc1c(F)cccc1N1CC(CC(C)C)NCC1C.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine?
The InChIKey is BIMJHKUOWVRHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-11(2)8-14-10-19(12(3)9-18-14)16-7-5-6-15(17)13(16)4/h5-7,11-12,14,18H,8-10H2,1-4H3.
What are the key properties of 1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine?
1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine has a molecular weight of 264.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64946904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).