2-butan-2-yl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine

C18H36N2O — CID 64848740

IUPAC2-butan-2-yl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
SMILESCCC(C)C1CNC(CC(C)C)CN1CC1CCOCC1
InChIInChI=1S/C18H36N2O/c1-5-15(4)18-11-19-17(10-14(2)3)13-20(18)12-16-6-8-21-9-7-16/h14-19H,5-13H2,1-4H3
InChIKeyALCALMJNULZJKG-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.15
Rot. Bonds6

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

2-butan-2-yl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine (PubChem CID 64848740) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-butan-2-yl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
PubChem CID64848740
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-butan-2-yl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
SMILESCCC(C)C1CNC(CC(C)C)CN1CC1CCOCC1
InChIInChI=1S/C18H36N2O/c1-5-15(4)18-11-19-17(10-14(2)3)13-20(18)12-16-6-8-21-9-7-16/h14-19H,5-13H2,1-4H3
InChIKeyALCALMJNULZJKG-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine
CID 64840141
2-ethyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64848728
2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64848743
2-cyclopropyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64850098
1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine
CID 64838582
2-butan-2-yl-1,5-bis(2-methylpropyl)piperazine
CID 64847195
1-(cyclobutylmethyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64934807
2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine
CID 64843292
2-butan-2-yl-5-(2-methylpropyl)-1-propylpiperazine
CID 64847775
2-butan-2-yl-5-cyclopropyl-1-(oxolan-3-ylmethyl)piperazine
CID 64859732
2-butan-2-yl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64850090
2,5-diethyl-1-(oxan-4-ylmethyl)piperazine
CID 64842307

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine?
The IUPAC name of 2-butan-2-yl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine (CID 64848740) is 2-butan-2-yl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine.
What is the SMILES notation for 2-butan-2-yl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine?
The canonical SMILES for 2-butan-2-yl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine is CCC(C)C1CNC(CC(C)C)CN1CC1CCOCC1.
What is the InChIKey of 2-butan-2-yl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine?
The InChIKey is ALCALMJNULZJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-5-15(4)18-11-19-17(10-14(2)3)13-20(18)12-16-6-8-21-9-7-16/h14-19H,5-13H2,1-4H3.
What are the key properties of 2-butan-2-yl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine?
2-butan-2-yl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine has a molecular weight of 296.50 g/mol, XLogP of 3.15, 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-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine is sourced from PubChem (CID 64848740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).