1-tert-butyl-4-(oxolan-3-yl)piperazine

C12H24N2O — CID 118531588

IUPAC1-tert-butyl-4-(oxolan-3-yl)piperazine
SMILESCC(C)(C)N1CCN(C2CCOC2)CC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)14-7-5-13(6-8-14)11-4-9-15-10-11/h11H,4-10H2,1-3H3
InChIKeyZABIGJQHDWUGHO-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.19
Rot. Bonds1

About 1-tert-butyl-4-(oxolan-3-yl)piperazine

1-tert-butyl-4-(oxolan-3-yl)piperazine (PubChem CID 118531588) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-tert-butyl-4-(oxolan-3-yl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(oxolan-3-yl)piperazine
PubChem CID118531588
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-tert-butyl-4-(oxolan-3-yl)piperazine
SMILESCC(C)(C)N1CCN(C2CCOC2)CC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)14-7-5-13(6-8-14)11-4-9-15-10-11/h11H,4-10H2,1-3H3
InChIKeyZABIGJQHDWUGHO-UHFFFAOYSA-N
XLogP1.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(oxolan-3-yl)piperazine?
The IUPAC name of 1-tert-butyl-4-(oxolan-3-yl)piperazine (CID 118531588) is 1-tert-butyl-4-(oxolan-3-yl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(oxolan-3-yl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(oxolan-3-yl)piperazine is CC(C)(C)N1CCN(C2CCOC2)CC1.
What is the InChIKey of 1-tert-butyl-4-(oxolan-3-yl)piperazine?
The InChIKey is ZABIGJQHDWUGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)14-7-5-13(6-8-14)11-4-9-15-10-11/h11H,4-10H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(oxolan-3-yl)piperazine?
1-tert-butyl-4-(oxolan-3-yl)piperazine has a molecular weight of 212.34 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(oxolan-3-yl)piperazine is sourced from PubChem (CID 118531588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).