2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine

C17H34N2O — CID 64840141

IUPAC2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine
SMILESCCCC1CN(CC2CCOCC2)C(C(C)CC)CN1
InChIInChI=1S/C17H34N2O/c1-4-6-16-13-19(12-15-7-9-20-10-8-15)17(11-18-16)14(3)5-2/h14-18H,4-13H2,1-3H3
InChIKeyTZCOXVFRZMWYNJ-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds6

About 2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine

2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine (PubChem CID 64840141) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine
PubChem CID64840141
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine
SMILESCCCC1CN(CC2CCOCC2)C(C(C)CC)CN1
InChIInChI=1S/C17H34N2O/c1-4-6-16-13-19(12-15-7-9-20-10-8-15)17(11-18-16)14(3)5-2/h14-18H,4-13H2,1-3H3
InChIKeyTZCOXVFRZMWYNJ-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine
CID 64838582
2-butan-2-yl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64848740
2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine
CID 64843292
2-butan-2-yl-1-pentyl-5-propylpiperazine
CID 64839559
2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine
CID 65170424
2-methyl-1-(oxolan-3-ylmethyl)-5-propylpiperazine
CID 64846758
2-butan-2-yl-5-cyclopropyl-1-(oxolan-3-ylmethyl)piperazine
CID 64859732
2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64839560
2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine
CID 81114309
2-ethyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64848728
2,5-diethyl-1-(oxan-4-ylmethyl)piperazine
CID 64842307
2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64848743

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine?
The IUPAC name of 2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine (CID 64840141) is 2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine.
What is the SMILES notation for 2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine?
The canonical SMILES for 2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine is CCCC1CN(CC2CCOCC2)C(C(C)CC)CN1.
What is the InChIKey of 2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine?
The InChIKey is TZCOXVFRZMWYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-6-16-13-19(12-15-7-9-20-10-8-15)17(11-18-16)14(3)5-2/h14-18H,4-13H2,1-3H3.
What are the key properties of 2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine?
2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 6 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-(oxan-4-ylmethyl)-5-propylpiperazine is sourced from PubChem (CID 64840141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).