2,5-dicyclopropyl-1-(2-fluoroethyl)piperazine

C12H21FN2 — CID 80697140

IUPAC2,5-dicyclopropyl-1-(2-fluoroethyl)piperazine
SMILESFCCN1CC(C2CC2)NCC1C1CC1
InChIInChI=1S/C12H21FN2/c13-5-6-15-8-11(9-1-2-9)14-7-12(15)10-3-4-10/h9-12,14H,1-8H2
InChIKeySNEMSWRDMRONBX-UHFFFAOYSA-N
MW212.31 g/mol
LogP1.42
Rot. Bonds4

About 2,5-dicyclopropyl-1-(2-fluoroethyl)piperazine

2,5-dicyclopropyl-1-(2-fluoroethyl)piperazine (PubChem CID 80697140) has the molecular formula C12H21FN2 and a molecular weight of 212.31 g/mol. Its IUPAC name is 2,5-dicyclopropyl-1-(2-fluoroethyl)piperazine.

Molecular Properties

Compound Name2,5-dicyclopropyl-1-(2-fluoroethyl)piperazine
PubChem CID80697140
Molecular FormulaC12H21FN2
Molecular Weight212.31 g/mol
Exact Mass212.17
IUPAC Name2,5-dicyclopropyl-1-(2-fluoroethyl)piperazine
SMILESFCCN1CC(C2CC2)NCC1C1CC1
InChIInChI=1S/C12H21FN2/c13-5-6-15-8-11(9-1-2-9)14-7-12(15)10-3-4-10/h9-12,14H,1-8H2
InChIKeySNEMSWRDMRONBX-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dicyclopropyl-1-(2-fluoroethyl)piperazine?
The IUPAC name of 2,5-dicyclopropyl-1-(2-fluoroethyl)piperazine (CID 80697140) is 2,5-dicyclopropyl-1-(2-fluoroethyl)piperazine.
What is the SMILES notation for 2,5-dicyclopropyl-1-(2-fluoroethyl)piperazine?
The canonical SMILES for 2,5-dicyclopropyl-1-(2-fluoroethyl)piperazine is FCCN1CC(C2CC2)NCC1C1CC1.
What is the InChIKey of 2,5-dicyclopropyl-1-(2-fluoroethyl)piperazine?
The InChIKey is SNEMSWRDMRONBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2/c13-5-6-15-8-11(9-1-2-9)14-7-12(15)10-3-4-10/h9-12,14H,1-8H2.
What are the key properties of 2,5-dicyclopropyl-1-(2-fluoroethyl)piperazine?
2,5-dicyclopropyl-1-(2-fluoroethyl)piperazine has a molecular weight of 212.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dicyclopropyl-1-(2-fluoroethyl)piperazine is sourced from PubChem (CID 80697140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).