methyl 3-[4-(2-fluoroethyl)piperazin-1-yl]propanoate

C10H19FN2O2 — CID 80602692

IUPACmethyl 3-[4-(2-fluoroethyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CCF)CC1
InChIInChI=1S/C10H19FN2O2/c1-15-10(14)2-4-12-6-8-13(5-3-11)9-7-12/h2-9H2,1H3
InChIKeyJLXSOAHVAVLENT-UHFFFAOYSA-N
MW218.27 g/mol
LogP0.14
Rot. Bonds5

About methyl 3-[4-(2-fluoroethyl)piperazin-1-yl]propanoate

methyl 3-[4-(2-fluoroethyl)piperazin-1-yl]propanoate (PubChem CID 80602692) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is methyl 3-[4-(2-fluoroethyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(2-fluoroethyl)piperazin-1-yl]propanoate
PubChem CID80602692
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Namemethyl 3-[4-(2-fluoroethyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CCF)CC1
InChIInChI=1S/C10H19FN2O2/c1-15-10(14)2-4-12-6-8-13(5-3-11)9-7-12/h2-9H2,1H3
InChIKeyJLXSOAHVAVLENT-UHFFFAOYSA-N
XLogP0.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2-fluoroethyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(2-fluoroethyl)piperazin-1-yl]propanoate (CID 80602692) is methyl 3-[4-(2-fluoroethyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(2-fluoroethyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(2-fluoroethyl)piperazin-1-yl]propanoate is COC(=O)CCN1CCN(CCF)CC1.
What is the InChIKey of methyl 3-[4-(2-fluoroethyl)piperazin-1-yl]propanoate?
The InChIKey is JLXSOAHVAVLENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-15-10(14)2-4-12-6-8-13(5-3-11)9-7-12/h2-9H2,1H3.
What are the key properties of methyl 3-[4-(2-fluoroethyl)piperazin-1-yl]propanoate?
methyl 3-[4-(2-fluoroethyl)piperazin-1-yl]propanoate has a molecular weight of 218.27 g/mol, XLogP of 0.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2-fluoroethyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 80602692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).