5-cyclopropyl-1-(2-fluoroethyl)-2,2,5-trimethylpiperazine

C12H23FN2 — CID 80697009

IUPAC5-cyclopropyl-1-(2-fluoroethyl)-2,2,5-trimethylpiperazine
SMILESCC1(C2CC2)CN(CCF)C(C)(C)CN1
InChIInChI=1S/C12H23FN2/c1-11(2)8-14-12(3,10-4-5-10)9-15(11)7-6-13/h10,14H,4-9H2,1-3H3
InChIKeyCYIQJHJCVJMRBH-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.81
Rot. Bonds3

About 5-cyclopropyl-1-(2-fluoroethyl)-2,2,5-trimethylpiperazine

5-cyclopropyl-1-(2-fluoroethyl)-2,2,5-trimethylpiperazine (PubChem CID 80697009) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-fluoroethyl)-2,2,5-trimethylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-fluoroethyl)-2,2,5-trimethylpiperazine
PubChem CID80697009
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name5-cyclopropyl-1-(2-fluoroethyl)-2,2,5-trimethylpiperazine
SMILESCC1(C2CC2)CN(CCF)C(C)(C)CN1
InChIInChI=1S/C12H23FN2/c1-11(2)8-14-12(3,10-4-5-10)9-15(11)7-6-13/h10,14H,4-9H2,1-3H3
InChIKeyCYIQJHJCVJMRBH-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-fluoroethyl)-2,2,5-trimethylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(2-fluoroethyl)-2,2,5-trimethylpiperazine (CID 80697009) is 5-cyclopropyl-1-(2-fluoroethyl)-2,2,5-trimethylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(2-fluoroethyl)-2,2,5-trimethylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(2-fluoroethyl)-2,2,5-trimethylpiperazine is CC1(C2CC2)CN(CCF)C(C)(C)CN1.
What is the InChIKey of 5-cyclopropyl-1-(2-fluoroethyl)-2,2,5-trimethylpiperazine?
The InChIKey is CYIQJHJCVJMRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2/c1-11(2)8-14-12(3,10-4-5-10)9-15(11)7-6-13/h10,14H,4-9H2,1-3H3.
What are the key properties of 5-cyclopropyl-1-(2-fluoroethyl)-2,2,5-trimethylpiperazine?
5-cyclopropyl-1-(2-fluoroethyl)-2,2,5-trimethylpiperazine has a molecular weight of 214.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-fluoroethyl)-2,2,5-trimethylpiperazine is sourced from PubChem (CID 80697009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).