5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxan-4-ylmethyl)piperazine

C18H34N2O — CID 64842062

IUPAC5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxan-4-ylmethyl)piperazine
SMILESCC(C)(C)C1CN(CC2CCOCC2)C(C)(C2CC2)CN1
InChIInChI=1S/C18H34N2O/c1-17(2,3)16-12-20(11-14-7-9-21-10-8-14)18(4,13-19-16)15-5-6-15/h14-16,19H,5-13H2,1-4H3
InChIKeyISSGDIZUQNOFOU-UHFFFAOYSA-N
MW294.48 g/mol
LogP2.90
Rot. Bonds3

About 5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxan-4-ylmethyl)piperazine

5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxan-4-ylmethyl)piperazine (PubChem CID 64842062) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxan-4-ylmethyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxan-4-ylmethyl)piperazine
PubChem CID64842062
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxan-4-ylmethyl)piperazine
SMILESCC(C)(C)C1CN(CC2CCOCC2)C(C)(C2CC2)CN1
InChIInChI=1S/C18H34N2O/c1-17(2,3)16-12-20(11-14-7-9-21-10-8-14)18(4,13-19-16)15-5-6-15/h14-16,19H,5-13H2,1-4H3
InChIKeyISSGDIZUQNOFOU-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxan-4-ylmethyl)piperazine?
The IUPAC name of 5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxan-4-ylmethyl)piperazine (CID 64842062) is 5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxan-4-ylmethyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxan-4-ylmethyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxan-4-ylmethyl)piperazine is CC(C)(C)C1CN(CC2CCOCC2)C(C)(C2CC2)CN1.
What is the InChIKey of 5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxan-4-ylmethyl)piperazine?
The InChIKey is ISSGDIZUQNOFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-17(2,3)16-12-20(11-14-7-9-21-10-8-14)18(4,13-19-16)15-5-6-15/h14-16,19H,5-13H2,1-4H3.
What are the key properties of 5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxan-4-ylmethyl)piperazine?
5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxan-4-ylmethyl)piperazine has a molecular weight of 294.48 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxan-4-ylmethyl)piperazine is sourced from PubChem (CID 64842062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).