5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine

C17H32N2O — CID 64842063

IUPAC5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine
SMILESCC(C)(C)C1CN(CC2CCOC2)C(C)(C2CC2)CN1
InChIInChI=1S/C17H32N2O/c1-16(2,3)15-10-19(9-13-7-8-20-11-13)17(4,12-18-15)14-5-6-14/h13-15,18H,5-12H2,1-4H3
InChIKeyYYVSXXMCMSMANQ-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.51
Rot. Bonds3

About 5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine

5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine (PubChem CID 64842063) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine
PubChem CID64842063
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine
SMILESCC(C)(C)C1CN(CC2CCOC2)C(C)(C2CC2)CN1
InChIInChI=1S/C17H32N2O/c1-16(2,3)15-10-19(9-13-7-8-20-11-13)17(4,12-18-15)14-5-6-14/h13-15,18H,5-12H2,1-4H3
InChIKeyYYVSXXMCMSMANQ-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxan-4-ylmethyl)piperazine
CID 64842062
2-cyclopropyl-2,5-dimethyl-1-(oxan-4-ylmethyl)piperazine
CID 64844581
5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine
CID 64843761
5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine
CID 64841098
2-tert-butyl-5-methyl-1-(oxolan-3-ylmethyl)piperazine
CID 64845762
5-tert-butyl-2-cyclopropyl-2-methyl-1-(thiophen-3-ylmethyl)piperazine
CID 64842067
5-tert-butyl-2-ethyl-1-(oxan-3-ylmethyl)piperazine
CID 64945973
5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64842250
5-tert-butyl-1-(cyclobutylmethyl)-2-ethyl-2-methylpiperazine
CID 65460670
5-tert-butyl-1-(cyclopentylmethyl)-2,2-diethylpiperazine
CID 64843204
4,4-dimethyl-5-(oxolan-3-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66241880
3-tert-butyl-1-[2-(oxolan-3-yl)ethyl]piperazine
CID 114129863

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine?
The IUPAC name of 5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine (CID 64842063) is 5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine is CC(C)(C)C1CN(CC2CCOC2)C(C)(C2CC2)CN1.
What is the InChIKey of 5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine?
The InChIKey is YYVSXXMCMSMANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-16(2,3)15-10-19(9-13-7-8-20-11-13)17(4,12-18-15)14-5-6-14/h13-15,18H,5-12H2,1-4H3.
What are the key properties of 5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine?
5-tert-butyl-2-cyclopropyl-2-methyl-1-(oxolan-3-ylmethyl)piperazine has a molecular weight of 280.46 g/mol, XLogP of 2.51, 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-(oxolan-3-ylmethyl)piperazine is sourced from PubChem (CID 64842063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).