5-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylpiperazine

C16H25FN2O — CID 64847317

IUPAC5-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylpiperazine
SMILESCCC1(C)CN(Cc2ccc(OC)c(F)c2)C(C)CN1
InChIInChI=1S/C16H25FN2O/c1-5-16(3)11-19(12(2)9-18-16)10-13-6-7-15(20-4)14(17)8-13/h6-8,12,18H,5,9-11H2,1-4H3
InChIKeyBOMCPFOIKDMUTA-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.80
Rot. Bonds4

About 5-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylpiperazine

5-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylpiperazine (PubChem CID 64847317) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylpiperazine
PubChem CID64847317
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name5-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylpiperazine
SMILESCCC1(C)CN(Cc2ccc(OC)c(F)c2)C(C)CN1
InChIInChI=1S/C16H25FN2O/c1-5-16(3)11-19(12(2)9-18-16)10-13-6-7-15(20-4)14(17)8-13/h6-8,12,18H,5,9-11H2,1-4H3
InChIKeyBOMCPFOIKDMUTA-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 64871622
1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine
CID 64849242
1-[(3-bromo-4-methoxyphenyl)methyl]-2,5-diethyl-5-methylpiperazine
CID 64848478
2-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5,5-trimethylpiperazine
CID 64843626
5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64933858
1-[(3,4-dimethylphenyl)methyl]-5,5-diethyl-2-methylpiperazine
CID 64861187
5-[(3-fluoro-4-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60916050
5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64860604
1-[(3,5-difluorophenyl)methyl]-2,5-diethyl-5-methylpiperazine
CID 105410083
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2,5-dimethylpiperazine
CID 64848467
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64847914
1-[(3-chlorophenyl)methyl]-3-ethyl-3,7-dimethyl-1,4-diazepane
CID 64871428

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylpiperazine?
The IUPAC name of 5-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylpiperazine (CID 64847317) is 5-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 5-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylpiperazine?
The canonical SMILES for 5-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylpiperazine is CCC1(C)CN(Cc2ccc(OC)c(F)c2)C(C)CN1.
What is the InChIKey of 5-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylpiperazine?
The InChIKey is BOMCPFOIKDMUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-5-16(3)11-19(12(2)9-18-16)10-13-6-7-15(20-4)14(17)8-13/h6-8,12,18H,5,9-11H2,1-4H3.
What are the key properties of 5-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylpiperazine?
5-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylpiperazine has a molecular weight of 280.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 64847317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).