5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine

C16H25FN2 — CID 64947289

IUPAC5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine
SMILESCc1c(F)cccc1N1CC(C(C)(C)C)NCC1C
InChIInChI=1S/C16H25FN2/c1-11-9-18-15(16(3,4)5)10-19(11)14-8-6-7-13(17)12(14)2/h6-8,11,15,18H,9-10H2,1-5H3
InChIKeyGPMHVIKJDFPMMG-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.35
Rot. Bonds1

About 5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine

5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine (PubChem CID 64947289) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine
PubChem CID64947289
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine
SMILESCc1c(F)cccc1N1CC(C(C)(C)C)NCC1C
InChIInChI=1S/C16H25FN2/c1-11-9-18-15(16(3,4)5)10-19(11)14-8-6-7-13(17)12(14)2/h6-8,11,15,18H,9-10H2,1-5H3
InChIKeyGPMHVIKJDFPMMG-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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-fluoro-2-methylphenyl)-2,5-dimethylpiperazine
CID 64937185
1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64946904
5-tert-butyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
CID 64931595
1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine
CID 64934142
5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine
CID 64946713
1-(3-fluoro-2-methylphenyl)-5-methyl-2-phenylpiperazine
CID 64936803
1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine
CID 64940047
5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine
CID 64953705
1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine
CID 64935839
5-tert-butyl-1-(2,6-difluoro-3-methylphenyl)-2-ethylpiperazine
CID 82802883
5-tert-butyl-2-ethyl-1-(2-methylsulfanylphenyl)piperazine
CID 107646420
4-(3-fluoro-2-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 102571308

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine?
The IUPAC name of 5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine (CID 64947289) is 5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine?
The canonical SMILES for 5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine is Cc1c(F)cccc1N1CC(C(C)(C)C)NCC1C.
What is the InChIKey of 5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine?
The InChIKey is GPMHVIKJDFPMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-11-9-18-15(16(3,4)5)10-19(11)14-8-6-7-13(17)12(14)2/h6-8,11,15,18H,9-10H2,1-5H3.
What are the key properties of 5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine?
5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine has a molecular weight of 264.39 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine is sourced from PubChem (CID 64947289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).