4-(2-fluoroethyl)piperazine-1-carboxylic acid

C7H13FN2O2 — CID 45099648

IUPAC4-(2-fluoroethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CCF)CC1
InChIInChI=1S/C7H13FN2O2/c8-1-2-9-3-5-10(6-4-9)7(11)12/h1-6H2,(H,11,12)
InChIKeyPGSFJNUWETZFFW-UHFFFAOYSA-N
MW176.19 g/mol
LogP0.25
Rot. Bonds2

About 4-(2-fluoroethyl)piperazine-1-carboxylic acid

4-(2-fluoroethyl)piperazine-1-carboxylic acid (PubChem CID 45099648) has the molecular formula C7H13FN2O2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 4-(2-fluoroethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluoroethyl)piperazine-1-carboxylic acid
PubChem CID45099648
Molecular FormulaC7H13FN2O2
Molecular Weight176.19 g/mol
Exact Mass176.10
IUPAC Name4-(2-fluoroethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CCF)CC1
InChIInChI=1S/C7H13FN2O2/c8-1-2-9-3-5-10(6-4-9)7(11)12/h1-6H2,(H,11,12)
InChIKeyPGSFJNUWETZFFW-UHFFFAOYSA-N
XLogP0.25
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(2-fluoroethyl)piperazine-1-carboxylic acid (CID 45099648) is 4-(2-fluoroethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(2-fluoroethyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(2-fluoroethyl)piperazine-1-carboxylic acid is O=C(O)N1CCN(CCF)CC1.
What is the InChIKey of 4-(2-fluoroethyl)piperazine-1-carboxylic acid?
The InChIKey is PGSFJNUWETZFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O2/c8-1-2-9-3-5-10(6-4-9)7(11)12/h1-6H2,(H,11,12).
What are the key properties of 4-(2-fluoroethyl)piperazine-1-carboxylic acid?
4-(2-fluoroethyl)piperazine-1-carboxylic acid has a molecular weight of 176.19 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 45099648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).