2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine

C16H32N2O — CID 64947706

IUPAC2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1CC1CCCOC1
InChIInChI=1S/C16H32N2O/c1-4-16-9-17-15(8-13(2)3)11-18(16)10-14-6-5-7-19-12-14/h13-17H,4-12H2,1-3H3
InChIKeyVMULARRTHHTZEL-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds5

About 2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine

2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine (PubChem CID 64947706) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine
PubChem CID64947706
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1CC1CCCOC1
InChIInChI=1S/C16H32N2O/c1-4-16-9-17-15(8-13(2)3)11-18(16)10-14-6-5-7-19-12-14/h13-17H,4-12H2,1-3H3
InChIKeyVMULARRTHHTZEL-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64848728
5-tert-butyl-2-ethyl-1-(oxan-3-ylmethyl)piperazine
CID 64945973
2,5-bis(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64848743
1-(2-cyclopentylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64934770
1-(cyclopentylmethyl)-2,5-diethylpiperazine
CID 64843856
3-(2-methylpropyl)-1-(oxan-3-ylmethyl)-1,4-diazepane
CID 64950927
5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine
CID 64843761
2,5-diethyl-1-(oxan-4-ylmethyl)piperazine
CID 64842307
1-(cyclopentylmethyl)-2-(2-methylpropyl)-5-propylpiperazine
CID 64840737
5-cyclopropyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine
CID 64861065
2-ethyl-1-(2-ethylbutyl)-5-(2-methylpropyl)piperazine
CID 82925413
1-(cyclopentylmethyl)-2-ethyl-5-propylpiperazine
CID 64845195

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine?
The IUPAC name of 2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine (CID 64947706) is 2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine.
What is the SMILES notation for 2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine?
The canonical SMILES for 2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine is CCC1CNC(CC(C)C)CN1CC1CCCOC1.
What is the InChIKey of 2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine?
The InChIKey is VMULARRTHHTZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-16-9-17-15(8-13(2)3)11-18(16)10-14-6-5-7-19-12-14/h13-17H,4-12H2,1-3H3.
What are the key properties of 2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine?
2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine is sourced from PubChem (CID 64947706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).