5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine

C18H29FN2 — CID 64931798

IUPAC5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(CCc2ccccc2F)C(C(C)C)CN1
InChIInChI=1S/C18H29FN2/c1-5-18(4)13-21(17(12-20-18)14(2)3)11-10-15-8-6-7-9-16(15)19/h6-9,14,17,20H,5,10-13H2,1-4H3
InChIKeyMVZSIDBUCHFNAB-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.47
Rot. Bonds5

About 5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine

5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64931798) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
PubChem CID64931798
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(CCc2ccccc2F)C(C(C)C)CN1
InChIInChI=1S/C18H29FN2/c1-5-18(4)13-21(17(12-20-18)14(2)3)11-10-15-8-6-7-9-16(15)19/h6-9,14,17,20H,5,10-13H2,1-4H3
InChIKeyMVZSIDBUCHFNAB-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 102862613
5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine
CID 64847525
5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
CID 81113589
1-[2-(2-fluorophenyl)ethyl]-2,5-di(propan-2-yl)piperazine
CID 64953673
1-(2-bromo-6-fluorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 107603929
5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64940459
5-cyclopropyl-1-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpiperazine
CID 64932196
5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64877110
2-[2-(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64941574
3-[2-(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421527
5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327069
5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
CID 82872161

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine (CID 64931798) is 5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine is CCC1(C)CN(CCc2ccccc2F)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is MVZSIDBUCHFNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-5-18(4)13-21(17(12-20-18)14(2)3)11-10-15-8-6-7-9-16(15)19/h6-9,14,17,20H,5,10-13H2,1-4H3.
What are the key properties of 5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine?
5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 292.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64931798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).