5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine

C16H25FN2 — CID 64946713

IUPAC5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine
SMILESCCC1(CC)CN(c2cccc(F)c2C)C(C)CN1
InChIInChI=1S/C16H25FN2/c1-5-16(6-2)11-19(12(3)10-18-16)15-9-7-8-14(17)13(15)4/h7-9,12,18H,5-6,10-11H2,1-4H3
InChIKeyNYNYGSSMNGNAPG-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.49
Rot. Bonds3

About 5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine

5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine (PubChem CID 64946713) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine
PubChem CID64946713
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine
SMILESCCC1(CC)CN(c2cccc(F)c2C)C(C)CN1
InChIInChI=1S/C16H25FN2/c1-5-16(6-2)11-19(12(3)10-18-16)15-9-7-8-14(17)13(15)4/h7-9,12,18H,5-6,10-11H2,1-4H3
InChIKeyNYNYGSSMNGNAPG-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,5-triethyl-1-(3-fluoro-2-methylphenyl)piperazine
CID 64946133
5,5-diethyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
CID 64931196
1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine
CID 64931392
5-(5,5-diethyl-2-methylpiperazin-1-yl)quinoline
CID 64933141
5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine
CID 64934290
1-(3-fluoro-2-methylphenyl)-2,5-dimethylpiperazine
CID 64937185
5-ethyl-2,5-dimethyl-1-(2-methylphenyl)piperazine
CID 64930880
5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine
CID 64947033
1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-methylpiperazine
CID 64941560
5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine
CID 64947289
1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64946904
1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine
CID 114934626

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine?
The IUPAC name of 5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine (CID 64946713) is 5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine?
The canonical SMILES for 5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine is CCC1(CC)CN(c2cccc(F)c2C)C(C)CN1.
What is the InChIKey of 5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine?
The InChIKey is NYNYGSSMNGNAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-5-16(6-2)11-19(12(3)10-18-16)15-9-7-8-14(17)13(15)4/h7-9,12,18H,5-6,10-11H2,1-4H3.
What are the key properties of 5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine?
5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine has a molecular weight of 264.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine is sourced from PubChem (CID 64946713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).