2-ethyl-1-[(2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine

C16H25FN2 — CID 64843429

IUPAC2-ethyl-1-[(2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine
SMILESCCC1(C)CNC(C)(C)CN1Cc1ccccc1F
InChIInChI=1S/C16H25FN2/c1-5-16(4)11-18-15(2,3)12-19(16)10-13-8-6-7-9-14(13)17/h6-9,18H,5,10-12H2,1-4H3
InChIKeyUBHCHWYXLIEEIS-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.18
Rot. Bonds3

About 2-ethyl-1-[(2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine

2-ethyl-1-[(2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine (PubChem CID 64843429) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-ethyl-1-[(2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-[(2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine
PubChem CID64843429
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-ethyl-1-[(2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine
SMILESCCC1(C)CNC(C)(C)CN1Cc1ccccc1F
InChIInChI=1S/C16H25FN2/c1-5-16(4)11-18-15(2,3)12-19(16)10-13-8-6-7-9-14(13)17/h6-9,18H,5,10-12H2,1-4H3
InChIKeyUBHCHWYXLIEEIS-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine
CID 64838563
1-[(2,6-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine
CID 114934587
5,5-diethyl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64861609
5-ethyl-1-[(2-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64848517
2-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5,5-trimethylpiperazine
CID 64843626
2-ethyl-2,5,5-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 79261256
1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine
CID 64838559
2-ethyl-2,5,5-trimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82871464
1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethyl-2,5,5-trimethylpiperazine
CID 64842460
1-[(2,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
CID 64850040
1-[(4-chlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
CID 64849867
5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64848062

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine?
The IUPAC name of 2-ethyl-1-[(2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine (CID 64843429) is 2-ethyl-1-[(2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine.
What is the SMILES notation for 2-ethyl-1-[(2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine?
The canonical SMILES for 2-ethyl-1-[(2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine is CCC1(C)CNC(C)(C)CN1Cc1ccccc1F.
What is the InChIKey of 2-ethyl-1-[(2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine?
The InChIKey is UBHCHWYXLIEEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-5-16(4)11-18-15(2,3)12-19(16)10-13-8-6-7-9-14(13)17/h6-9,18H,5,10-12H2,1-4H3.
What are the key properties of 2-ethyl-1-[(2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine?
2-ethyl-1-[(2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine has a molecular weight of 264.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine is sourced from PubChem (CID 64843429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).