1-tert-butyl-4-(2-fluoro-2-methylpropyl)piperazine

C12H25FN2 — CID 118968674

IUPAC1-tert-butyl-4-(2-fluoro-2-methylpropyl)piperazine
SMILESCC(C)(F)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H25FN2/c1-11(2,3)15-8-6-14(7-9-15)10-12(4,5)13/h6-10H2,1-5H3
InChIKeySHOPFUZICZWIRZ-UHFFFAOYSA-N
MW216.34 g/mol
LogP2.15
Rot. Bonds2

About 1-tert-butyl-4-(2-fluoro-2-methylpropyl)piperazine

1-tert-butyl-4-(2-fluoro-2-methylpropyl)piperazine (PubChem CID 118968674) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-fluoro-2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(2-fluoro-2-methylpropyl)piperazine
PubChem CID118968674
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC Name1-tert-butyl-4-(2-fluoro-2-methylpropyl)piperazine
SMILESCC(C)(F)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H25FN2/c1-11(2,3)15-8-6-14(7-9-15)10-12(4,5)13/h6-10H2,1-5H3
InChIKeySHOPFUZICZWIRZ-UHFFFAOYSA-N
XLogP2.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 52.15
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-fluoro-2-methylpropyl)piperazine?
The IUPAC name of 1-tert-butyl-4-(2-fluoro-2-methylpropyl)piperazine (CID 118968674) is 1-tert-butyl-4-(2-fluoro-2-methylpropyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(2-fluoro-2-methylpropyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(2-fluoro-2-methylpropyl)piperazine is CC(C)(F)CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(2-fluoro-2-methylpropyl)piperazine?
The InChIKey is SHOPFUZICZWIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2/c1-11(2,3)15-8-6-14(7-9-15)10-12(4,5)13/h6-10H2,1-5H3.
What are the key properties of 1-tert-butyl-4-(2-fluoro-2-methylpropyl)piperazine?
1-tert-butyl-4-(2-fluoro-2-methylpropyl)piperazine has a molecular weight of 216.34 g/mol, XLogP of 2.15, 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-fluoro-2-methylpropyl)piperazine is sourced from PubChem (CID 118968674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).