2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine

C15H23FN2 — CID 64837932

IUPAC2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1Cc1cccc(F)c1
InChIInChI=1S/C15H23FN2/c1-4-14-9-17-15(2,3)11-18(14)10-12-6-5-7-13(16)8-12/h5-8,14,17H,4,9-11H2,1-3H3
InChIKeyJXNOJXBZCLYHCI-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.79
Rot. Bonds3

About 2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine

2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine (PubChem CID 64837932) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine
PubChem CID64837932
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine
SMILESCCC1CNC(C)(C)CN1Cc1cccc(F)c1
InChIInChI=1S/C15H23FN2/c1-4-14-9-17-15(2,3)11-18(14)10-12-6-5-7-13(16)8-12/h5-8,14,17H,4,9-11H2,1-3H3
InChIKeyJXNOJXBZCLYHCI-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-difluorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 114934579
1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64840451
2-ethyl-1-[(3-fluorophenyl)methyl]piperazine
CID 63602697
1-[(3,5-difluorophenyl)methyl]-2,5-diethyl-5-methylpiperazine
CID 105410083
1-benzyl-2,5-diethyl-5-methylpiperazine
CID 64849828
2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5,5-dimethylpiperazine
CID 64840265
2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine
CID 105375725
2-butan-2-yl-1-[(4-fluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64837770
1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837944
1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine
CID 114934626
1-[(4-bromothiophen-2-yl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64839682
2-ethyl-1-[(3-ethyl-2-pyridinyl)methyl]-5,5-dimethylpiperazine
CID 82745822

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine?
The IUPAC name of 2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine (CID 64837932) is 2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine.
What is the SMILES notation for 2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine?
The canonical SMILES for 2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine is CCC1CNC(C)(C)CN1Cc1cccc(F)c1.
What is the InChIKey of 2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine?
The InChIKey is JXNOJXBZCLYHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-4-14-9-17-15(2,3)11-18(14)10-12-6-5-7-13(16)8-12/h5-8,14,17H,4,9-11H2,1-3H3.
What are the key properties of 2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine?
2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine has a molecular weight of 250.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(3-fluorophenyl)methyl]-5,5-dimethylpiperazine is sourced from PubChem (CID 64837932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).