5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine

C17H27FN2 — CID 64946647

IUPAC5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine
SMILESCCC1(CC)CN(C(C)c2ccc(F)cc2)C(C)CN1
InChIInChI=1S/C17H27FN2/c1-5-17(6-2)12-20(13(3)11-19-17)14(4)15-7-9-16(18)10-8-15/h7-10,13-14,19H,5-6,11-12H2,1-4H3
InChIKeyBISBWIPCFMATLY-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.74
Rot. Bonds4

About 5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine

5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine (PubChem CID 64946647) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine
PubChem CID64946647
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine
SMILESCCC1(CC)CN(C(C)c2ccc(F)cc2)C(C)CN1
InChIInChI=1S/C17H27FN2/c1-5-17(6-2)12-20(13(3)11-19-17)14(4)15-7-9-16(18)10-8-15/h7-10,13-14,19H,5-6,11-12H2,1-4H3
InChIKeyBISBWIPCFMATLY-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-diethyl-1-[1-(4-fluorophenyl)propan-2-yl]-2-methylpiperazine
CID 64941170
1-[(2,4-difluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine
CID 64859837
1-[(2-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine
CID 64860226
1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine
CID 64948589
1-[1-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine
CID 66242439
1-(1-cyclohexylpropyl)-5,5-diethyl-2-methylpiperazine
CID 64940945
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine
CID 64933143
5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine
CID 64946713
5,5-diethyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64862336
1-benzyl-5,5-diethyl-2-methylpiperazine
CID 64862341
1-[1-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 106745286
2,5,5-triethyl-1-(4-propan-2-ylphenyl)piperazine
CID 64930564

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine?
The IUPAC name of 5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine (CID 64946647) is 5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine?
The canonical SMILES for 5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine is CCC1(CC)CN(C(C)c2ccc(F)cc2)C(C)CN1.
What is the InChIKey of 5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine?
The InChIKey is BISBWIPCFMATLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-5-17(6-2)12-20(13(3)11-19-17)14(4)15-7-9-16(18)10-8-15/h7-10,13-14,19H,5-6,11-12H2,1-4H3.
What are the key properties of 5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine?
5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine has a molecular weight of 278.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine is sourced from PubChem (CID 64946647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).