5-tert-butyl-2-ethyl-1-(2-fluoroethyl)-2-methylpiperazine

C13H27FN2 — CID 80696293

IUPAC5-tert-butyl-2-ethyl-1-(2-fluoroethyl)-2-methylpiperazine
SMILESCCC1(C)CNC(C(C)(C)C)CN1CCF
InChIInChI=1S/C13H27FN2/c1-6-13(5)10-15-11(12(2,3)4)9-16(13)8-7-14/h11,15H,6-10H2,1-5H3
InChIKeyLGZWZSPTTLNFNK-UHFFFAOYSA-N
MW230.37 g/mol
LogP2.44
Rot. Bonds3

About 5-tert-butyl-2-ethyl-1-(2-fluoroethyl)-2-methylpiperazine

5-tert-butyl-2-ethyl-1-(2-fluoroethyl)-2-methylpiperazine (PubChem CID 80696293) has the molecular formula C13H27FN2 and a molecular weight of 230.37 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-(2-fluoroethyl)-2-methylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-(2-fluoroethyl)-2-methylpiperazine
PubChem CID80696293
Molecular FormulaC13H27FN2
Molecular Weight230.37 g/mol
Exact Mass230.22
IUPAC Name5-tert-butyl-2-ethyl-1-(2-fluoroethyl)-2-methylpiperazine
SMILESCCC1(C)CNC(C(C)(C)C)CN1CCF
InChIInChI=1S/C13H27FN2/c1-6-13(5)10-15-11(12(2,3)4)9-16(13)8-7-14/h11,15H,6-10H2,1-5H3
InChIKeyLGZWZSPTTLNFNK-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 5-tert-butyl-2-ethyl-1-(2-fluoroethyl)-2-methylpiperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-1-(2-fluoroethyl)-2-methylpiperazine (CID 80696293) is 5-tert-butyl-2-ethyl-1-(2-fluoroethyl)-2-methylpiperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-(2-fluoroethyl)-2-methylpiperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-(2-fluoroethyl)-2-methylpiperazine is CCC1(C)CNC(C(C)(C)C)CN1CCF.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-(2-fluoroethyl)-2-methylpiperazine?
The InChIKey is LGZWZSPTTLNFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FN2/c1-6-13(5)10-15-11(12(2,3)4)9-16(13)8-7-14/h11,15H,6-10H2,1-5H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-(2-fluoroethyl)-2-methylpiperazine?
5-tert-butyl-2-ethyl-1-(2-fluoroethyl)-2-methylpiperazine has a molecular weight of 230.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-1-(2-fluoroethyl)-2-methylpiperazine is sourced from PubChem (CID 80696293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).