3-ethyl-1-(2-fluorophenyl)-3-methylpiperazine

C13H19FN2 — CID 64924410

IUPAC3-ethyl-1-(2-fluorophenyl)-3-methylpiperazine
SMILESCCC1(C)CN(c2ccccc2F)CCN1
InChIInChI=1S/C13H19FN2/c1-3-13(2)10-16(9-8-15-13)12-7-5-4-6-11(12)14/h4-7,15H,3,8-10H2,1-2H3
InChIKeyPOMDMIAQNBHYHF-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.40
Rot. Bonds2

About 3-ethyl-1-(2-fluorophenyl)-3-methylpiperazine

3-ethyl-1-(2-fluorophenyl)-3-methylpiperazine (PubChem CID 64924410) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-ethyl-1-(2-fluorophenyl)-3-methylpiperazine.

Molecular Properties

Compound Name3-ethyl-1-(2-fluorophenyl)-3-methylpiperazine
PubChem CID64924410
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name3-ethyl-1-(2-fluorophenyl)-3-methylpiperazine
SMILESCCC1(C)CN(c2ccccc2F)CCN1
InChIInChI=1S/C13H19FN2/c1-3-13(2)10-16(9-8-15-13)12-7-5-4-6-11(12)14/h4-7,15H,3,8-10H2,1-2H3
InChIKeyPOMDMIAQNBHYHF-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-fluorophenyl)-3-methylpiperazine?
The IUPAC name of 3-ethyl-1-(2-fluorophenyl)-3-methylpiperazine (CID 64924410) is 3-ethyl-1-(2-fluorophenyl)-3-methylpiperazine.
What is the SMILES notation for 3-ethyl-1-(2-fluorophenyl)-3-methylpiperazine?
The canonical SMILES for 3-ethyl-1-(2-fluorophenyl)-3-methylpiperazine is CCC1(C)CN(c2ccccc2F)CCN1.
What is the InChIKey of 3-ethyl-1-(2-fluorophenyl)-3-methylpiperazine?
The InChIKey is POMDMIAQNBHYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-3-13(2)10-16(9-8-15-13)12-7-5-4-6-11(12)14/h4-7,15H,3,8-10H2,1-2H3.
What are the key properties of 3-ethyl-1-(2-fluorophenyl)-3-methylpiperazine?
3-ethyl-1-(2-fluorophenyl)-3-methylpiperazine has a molecular weight of 222.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-fluorophenyl)-3-methylpiperazine is sourced from PubChem (CID 64924410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).