2-ethyl-1-(3-fluoropropyl)-5-methylpiperazine

C10H21FN2 — CID 81112995

IUPAC2-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
SMILESCCC1CNC(C)CN1CCCF
InChIInChI=1S/C10H21FN2/c1-3-10-7-12-9(2)8-13(10)6-4-5-11/h9-10,12H,3-8H2,1-2H3
InChIKeyRIYQSTQGTQTNLZ-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.42
Rot. Bonds4

About 2-ethyl-1-(3-fluoropropyl)-5-methylpiperazine

2-ethyl-1-(3-fluoropropyl)-5-methylpiperazine (PubChem CID 81112995) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-ethyl-1-(3-fluoropropyl)-5-methylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
PubChem CID81112995
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name2-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
SMILESCCC1CNC(C)CN1CCCF
InChIInChI=1S/C10H21FN2/c1-3-10-7-12-9(2)8-13(10)6-4-5-11/h9-10,12H,3-8H2,1-2H3
InChIKeyRIYQSTQGTQTNLZ-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-fluoropropyl)-5-methylpiperazine?
The IUPAC name of 2-ethyl-1-(3-fluoropropyl)-5-methylpiperazine (CID 81112995) is 2-ethyl-1-(3-fluoropropyl)-5-methylpiperazine.
What is the SMILES notation for 2-ethyl-1-(3-fluoropropyl)-5-methylpiperazine?
The canonical SMILES for 2-ethyl-1-(3-fluoropropyl)-5-methylpiperazine is CCC1CNC(C)CN1CCCF.
What is the InChIKey of 2-ethyl-1-(3-fluoropropyl)-5-methylpiperazine?
The InChIKey is RIYQSTQGTQTNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-3-10-7-12-9(2)8-13(10)6-4-5-11/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-1-(3-fluoropropyl)-5-methylpiperazine?
2-ethyl-1-(3-fluoropropyl)-5-methylpiperazine has a molecular weight of 188.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-fluoropropyl)-5-methylpiperazine is sourced from PubChem (CID 81112995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).