2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine

C17H34N2O — CID 65170424

IUPAC2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine
SMILESCCCC1CN(CCC2CCCO2)C(C(C)CC)CN1
InChIInChI=1S/C17H34N2O/c1-4-7-15-13-19(10-9-16-8-6-11-20-16)17(12-18-15)14(3)5-2/h14-18H,4-13H2,1-3H3
InChIKeySJQICYLSCIEQBR-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.04
Rot. Bonds7

About 2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine

2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine (PubChem CID 65170424) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine
PubChem CID65170424
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine
SMILESCCCC1CN(CCC2CCCO2)C(C(C)CC)CN1
InChIInChI=1S/C17H34N2O/c1-4-7-15-13-19(10-9-16-8-6-11-20-16)17(12-18-15)14(3)5-2/h14-18H,4-13H2,1-3H3
InChIKeySJQICYLSCIEQBR-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-yl-1-pentyl-5-propylpiperazine
CID 64839559
5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
CID 64947681
2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine
CID 81114309
2-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-5-propylpiperazine
CID 64838798
5-butan-2-yl-2-cyclopropyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170235
2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine
CID 103414108
2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine
CID 103016284
2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64839560
2-cyclopropyl-2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine
CID 65170718
2-butan-2-yl-5-(2-methylpropyl)-1-propylpiperazine
CID 64847775
3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane
CID 64943276
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine?
The IUPAC name of 2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine (CID 65170424) is 2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine.
What is the SMILES notation for 2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine?
The canonical SMILES for 2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine is CCCC1CN(CCC2CCCO2)C(C(C)CC)CN1.
What is the InChIKey of 2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine?
The InChIKey is SJQICYLSCIEQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-7-15-13-19(10-9-16-8-6-11-20-16)17(12-18-15)14(3)5-2/h14-18H,4-13H2,1-3H3.
What are the key properties of 2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine?
2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine has a molecular weight of 282.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine is sourced from PubChem (CID 65170424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).