1-(2-fluoroethyl)-4-propan-2-ylpiperazine

C9H19FN2 — CID 58029889

IUPAC1-(2-fluoroethyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CCF)CC1
InChIInChI=1S/C9H19FN2/c1-9(2)12-7-5-11(4-3-10)6-8-12/h9H,3-8H2,1-2H3
InChIKeySTJHPRPABHMIBW-UHFFFAOYSA-N
MW174.26 g/mol
LogP0.98
Rot. Bonds3

About 1-(2-fluoroethyl)-4-propan-2-ylpiperazine

1-(2-fluoroethyl)-4-propan-2-ylpiperazine (PubChem CID 58029889) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-propan-2-ylpiperazine
PubChem CID58029889
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name1-(2-fluoroethyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CCF)CC1
InChIInChI=1S/C9H19FN2/c1-9(2)12-7-5-11(4-3-10)6-8-12/h9H,3-8H2,1-2H3
InChIKeySTJHPRPABHMIBW-UHFFFAOYSA-N
XLogP0.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(2-fluoroethyl)-4-propan-2-ylpiperazine (CID 58029889) is 1-(2-fluoroethyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-fluoroethyl)-4-propan-2-ylpiperazine is CC(C)N1CCN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-propan-2-ylpiperazine?
The InChIKey is STJHPRPABHMIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-9(2)12-7-5-11(4-3-10)6-8-12/h9H,3-8H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-4-propan-2-ylpiperazine?
1-(2-fluoroethyl)-4-propan-2-ylpiperazine has a molecular weight of 174.26 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 58029889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).