1-tert-butyl-4-(2-fluoroethyl)piperazine

C10H21FN2 — CID 130694657

IUPAC1-tert-butyl-4-(2-fluoroethyl)piperazine
SMILESCC(C)(C)N1CCN(CCF)CC1
InChIInChI=1S/C10H21FN2/c1-10(2,3)13-8-6-12(5-4-11)7-9-13/h4-9H2,1-3H3
InChIKeyCVEYQJQNGDDJLN-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.37
Rot. Bonds2

About 1-tert-butyl-4-(2-fluoroethyl)piperazine

1-tert-butyl-4-(2-fluoroethyl)piperazine (PubChem CID 130694657) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-fluoroethyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(2-fluoroethyl)piperazine
PubChem CID130694657
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name1-tert-butyl-4-(2-fluoroethyl)piperazine
SMILESCC(C)(C)N1CCN(CCF)CC1
InChIInChI=1S/C10H21FN2/c1-10(2,3)13-8-6-12(5-4-11)7-9-13/h4-9H2,1-3H3
InChIKeyCVEYQJQNGDDJLN-UHFFFAOYSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-fluoroethyl)piperazine?
The IUPAC name of 1-tert-butyl-4-(2-fluoroethyl)piperazine (CID 130694657) is 1-tert-butyl-4-(2-fluoroethyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(2-fluoroethyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(2-fluoroethyl)piperazine is CC(C)(C)N1CCN(CCF)CC1.
What is the InChIKey of 1-tert-butyl-4-(2-fluoroethyl)piperazine?
The InChIKey is CVEYQJQNGDDJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-10(2,3)13-8-6-12(5-4-11)7-9-13/h4-9H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(2-fluoroethyl)piperazine?
1-tert-butyl-4-(2-fluoroethyl)piperazine has a molecular weight of 188.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-fluoroethyl)piperazine is sourced from PubChem (CID 130694657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).