5-cyclopropyl-2-ethyl-1-(2-fluoroethyl)-2,5-dimethylpiperazine

C13H25FN2 — CID 80697137

IUPAC5-cyclopropyl-2-ethyl-1-(2-fluoroethyl)-2,5-dimethylpiperazine
SMILESCCC1(C)CNC(C)(C2CC2)CN1CCF
InChIInChI=1S/C13H25FN2/c1-4-12(2)9-15-13(3,11-5-6-11)10-16(12)8-7-14/h11,15H,4-10H2,1-3H3
InChIKeyXMIJTXHBNDKFKF-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.20
Rot. Bonds4

About 5-cyclopropyl-2-ethyl-1-(2-fluoroethyl)-2,5-dimethylpiperazine

5-cyclopropyl-2-ethyl-1-(2-fluoroethyl)-2,5-dimethylpiperazine (PubChem CID 80697137) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-1-(2-fluoroethyl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-1-(2-fluoroethyl)-2,5-dimethylpiperazine
PubChem CID80697137
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name5-cyclopropyl-2-ethyl-1-(2-fluoroethyl)-2,5-dimethylpiperazine
SMILESCCC1(C)CNC(C)(C2CC2)CN1CCF
InChIInChI=1S/C13H25FN2/c1-4-12(2)9-15-13(3,11-5-6-11)10-16(12)8-7-14/h11,15H,4-10H2,1-3H3
InChIKeyXMIJTXHBNDKFKF-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-1-(2-fluoroethyl)-2,5-dimethylpiperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-1-(2-fluoroethyl)-2,5-dimethylpiperazine (CID 80697137) is 5-cyclopropyl-2-ethyl-1-(2-fluoroethyl)-2,5-dimethylpiperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-1-(2-fluoroethyl)-2,5-dimethylpiperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-1-(2-fluoroethyl)-2,5-dimethylpiperazine is CCC1(C)CNC(C)(C2CC2)CN1CCF.
What is the InChIKey of 5-cyclopropyl-2-ethyl-1-(2-fluoroethyl)-2,5-dimethylpiperazine?
The InChIKey is XMIJTXHBNDKFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2/c1-4-12(2)9-15-13(3,11-5-6-11)10-16(12)8-7-14/h11,15H,4-10H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-ethyl-1-(2-fluoroethyl)-2,5-dimethylpiperazine?
5-cyclopropyl-2-ethyl-1-(2-fluoroethyl)-2,5-dimethylpiperazine has a molecular weight of 228.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-1-(2-fluoroethyl)-2,5-dimethylpiperazine is sourced from PubChem (CID 80697137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).