5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine

C15H23FN2 — CID 64945888

IUPAC5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine
SMILESCCC1CN(C(C)c2ccccc2F)C(C)CN1
InChIInChI=1S/C15H23FN2/c1-4-13-10-18(11(2)9-17-13)12(3)14-7-5-6-8-15(14)16/h5-8,11-13,17H,4,9-10H2,1-3H3
InChIKeyMTBBOSSVZLXHCC-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.96
Rot. Bonds3

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

5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine (PubChem CID 64945888) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine
PubChem CID64945888
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine
SMILESCCC1CN(C(C)c2ccccc2F)C(C)CN1
InChIInChI=1S/C15H23FN2/c1-4-13-10-18(11(2)9-17-13)12(3)14-7-5-6-8-15(14)16/h5-8,11-13,17H,4,9-10H2,1-3H3
InChIKeyMTBBOSSVZLXHCC-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine
CID 64945692
5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine
CID 64945887
1-(2,6-difluorophenyl)-5-ethyl-2-methylpiperazine
CID 64934794
1-[1-(3-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine
CID 64945730
1-butan-2-yl-5-ethyl-2-methylpiperazine
CID 64931407
5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine
CID 64945697
5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
CID 64939080
5-ethyl-2-phenyl-1-propan-2-ylpiperazine
CID 64843317
4-[1-(5-ethyl-2-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79238271
5-ethyl-2-methyl-1-(1-thiophen-2-ylpropyl)piperazine
CID 64948011
5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine
CID 64947660
1-[1-(2,4-dichlorophenyl)ethyl]-2,5-diethylpiperazine
CID 64934081

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine?
The IUPAC name of 5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine (CID 64945888) is 5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine.
What is the SMILES notation for 5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine?
The canonical SMILES for 5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine is CCC1CN(C(C)c2ccccc2F)C(C)CN1.
What is the InChIKey of 5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine?
The InChIKey is MTBBOSSVZLXHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-4-13-10-18(11(2)9-17-13)12(3)14-7-5-6-8-15(14)16/h5-8,11-13,17H,4,9-10H2,1-3H3.
What are the key properties of 5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine?
5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine has a molecular weight of 250.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine is sourced from PubChem (CID 64945888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).