5-tert-butyl-2-ethyl-1-(2-methyloxolan-3-yl)piperazine

C15H30N2O — CID 82737366

IUPAC5-tert-butyl-2-ethyl-1-(2-methyloxolan-3-yl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1C1CCOC1C
InChIInChI=1S/C15H30N2O/c1-6-12-9-16-14(15(3,4)5)10-17(12)13-7-8-18-11(13)2/h11-14,16H,6-10H2,1-5H3
InChIKeyYWTQGFPCBOZKCF-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.26
Rot. Bonds2

About 5-tert-butyl-2-ethyl-1-(2-methyloxolan-3-yl)piperazine

5-tert-butyl-2-ethyl-1-(2-methyloxolan-3-yl)piperazine (PubChem CID 82737366) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-(2-methyloxolan-3-yl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-(2-methyloxolan-3-yl)piperazine
PubChem CID82737366
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5-tert-butyl-2-ethyl-1-(2-methyloxolan-3-yl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1C1CCOC1C
InChIInChI=1S/C15H30N2O/c1-6-12-9-16-14(15(3,4)5)10-17(12)13-7-8-18-11(13)2/h11-14,16H,6-10H2,1-5H3
InChIKeyYWTQGFPCBOZKCF-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.26
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-ethyl-1-(2-methyloxolan-3-yl)piperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-1-(2-methyloxolan-3-yl)piperazine (CID 82737366) is 5-tert-butyl-2-ethyl-1-(2-methyloxolan-3-yl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-(2-methyloxolan-3-yl)piperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-(2-methyloxolan-3-yl)piperazine is CCC1CNC(C(C)(C)C)CN1C1CCOC1C.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-(2-methyloxolan-3-yl)piperazine?
The InChIKey is YWTQGFPCBOZKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-12-9-16-14(15(3,4)5)10-17(12)13-7-8-18-11(13)2/h11-14,16H,6-10H2,1-5H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-(2-methyloxolan-3-yl)piperazine?
5-tert-butyl-2-ethyl-1-(2-methyloxolan-3-yl)piperazine has a molecular weight of 254.42 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-1-(2-methyloxolan-3-yl)piperazine is sourced from PubChem (CID 82737366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).