5-tert-butyl-2,2-diethyl-1-(2-fluoroethyl)piperazine

C14H29FN2 — CID 80696294

IUPAC5-tert-butyl-2,2-diethyl-1-(2-fluoroethyl)piperazine
SMILESCCC1(CC)CNC(C(C)(C)C)CN1CCF
InChIInChI=1S/C14H29FN2/c1-6-14(7-2)11-16-12(13(3,4)5)10-17(14)9-8-15/h12,16H,6-11H2,1-5H3
InChIKeyKSWVBAFSQUXKQO-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.83
Rot. Bonds4

About 5-tert-butyl-2,2-diethyl-1-(2-fluoroethyl)piperazine

5-tert-butyl-2,2-diethyl-1-(2-fluoroethyl)piperazine (PubChem CID 80696294) has the molecular formula C14H29FN2 and a molecular weight of 244.40 g/mol. Its IUPAC name is 5-tert-butyl-2,2-diethyl-1-(2-fluoroethyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2,2-diethyl-1-(2-fluoroethyl)piperazine
PubChem CID80696294
Molecular FormulaC14H29FN2
Molecular Weight244.40 g/mol
Exact Mass244.23
IUPAC Name5-tert-butyl-2,2-diethyl-1-(2-fluoroethyl)piperazine
SMILESCCC1(CC)CNC(C(C)(C)C)CN1CCF
InChIInChI=1S/C14H29FN2/c1-6-14(7-2)11-16-12(13(3,4)5)10-17(14)9-8-15/h12,16H,6-11H2,1-5H3
InChIKeyKSWVBAFSQUXKQO-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,2-diethyl-1-(2-fluoroethyl)piperazine?
The IUPAC name of 5-tert-butyl-2,2-diethyl-1-(2-fluoroethyl)piperazine (CID 80696294) is 5-tert-butyl-2,2-diethyl-1-(2-fluoroethyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2,2-diethyl-1-(2-fluoroethyl)piperazine?
The canonical SMILES for 5-tert-butyl-2,2-diethyl-1-(2-fluoroethyl)piperazine is CCC1(CC)CNC(C(C)(C)C)CN1CCF.
What is the InChIKey of 5-tert-butyl-2,2-diethyl-1-(2-fluoroethyl)piperazine?
The InChIKey is KSWVBAFSQUXKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FN2/c1-6-14(7-2)11-16-12(13(3,4)5)10-17(14)9-8-15/h12,16H,6-11H2,1-5H3.
What are the key properties of 5-tert-butyl-2,2-diethyl-1-(2-fluoroethyl)piperazine?
5-tert-butyl-2,2-diethyl-1-(2-fluoroethyl)piperazine has a molecular weight of 244.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,2-diethyl-1-(2-fluoroethyl)piperazine is sourced from PubChem (CID 80696294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).