2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine

C13H27FN2 — CID 80697725

IUPAC2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine
SMILESCCC1(C)CNC(CC(C)C)CN1CCF
InChIInChI=1S/C13H27FN2/c1-5-13(4)10-15-12(8-11(2)3)9-16(13)7-6-14/h11-12,15H,5-10H2,1-4H3
InChIKeyRBRRWHJMRJLWAQ-UHFFFAOYSA-N
MW230.37 g/mol
LogP2.44
Rot. Bonds5

About 2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine

2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine (PubChem CID 80697725) has the molecular formula C13H27FN2 and a molecular weight of 230.37 g/mol. Its IUPAC name is 2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine
PubChem CID80697725
Molecular FormulaC13H27FN2
Molecular Weight230.37 g/mol
Exact Mass230.22
IUPAC Name2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine
SMILESCCC1(C)CNC(CC(C)C)CN1CCF
InChIInChI=1S/C13H27FN2/c1-5-13(4)10-15-12(8-11(2)3)9-16(13)7-6-14/h11-12,15H,5-10H2,1-4H3
InChIKeyRBRRWHJMRJLWAQ-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine (CID 80697725) is 2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine is CCC1(C)CNC(CC(C)C)CN1CCF.
What is the InChIKey of 2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine?
The InChIKey is RBRRWHJMRJLWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2/c1-5-13(4)10-15-12(8-11(2)3)9-16(13)7-6-14/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine?
2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine has a molecular weight of 230.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 80697725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).