5-tert-butyl-2-ethyl-1-(oxan-3-ylmethyl)piperazine

C16H32N2O — CID 64945973

IUPAC5-tert-butyl-2-ethyl-1-(oxan-3-ylmethyl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1CC1CCCOC1
InChIInChI=1S/C16H32N2O/c1-5-14-9-17-15(16(2,3)4)11-18(14)10-13-7-6-8-19-12-13/h13-15,17H,5-12H2,1-4H3
InChIKeyROSWGNVCHGNQBL-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds3

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

5-tert-butyl-2-ethyl-1-(oxan-3-ylmethyl)piperazine (PubChem CID 64945973) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-(oxan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-(oxan-3-ylmethyl)piperazine
PubChem CID64945973
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name5-tert-butyl-2-ethyl-1-(oxan-3-ylmethyl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1CC1CCCOC1
InChIInChI=1S/C16H32N2O/c1-5-14-9-17-15(16(2,3)4)11-18(14)10-13-7-6-8-19-12-13/h13-15,17H,5-12H2,1-4H3
InChIKeyROSWGNVCHGNQBL-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine
CID 64843761
2-ethyl-5-(2-methylpropyl)-1-(oxan-3-ylmethyl)piperazine
CID 64947706
5-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine
CID 64946001
5-cyclopropyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine
CID 64861065
1-(cyclopentylmethyl)-2,5-diethylpiperazine
CID 64843856
2,5-diethyl-1-(oxan-4-ylmethyl)piperazine
CID 64842307
3-ethyl-2-(oxan-3-ylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115824881
5-tert-butyl-1-(cyclopentylmethyl)-2-cyclopropylpiperazine
CID 64841267
1-(cyclopentylmethyl)-2-ethyl-5-propylpiperazine
CID 64845195
1-(cyclobutylmethyl)-2-ethyl-5-propylpiperazine
CID 64936155
4-ethyl-5-(oxan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208890
5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine
CID 64941761

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1-(oxan-3-ylmethyl)piperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-1-(oxan-3-ylmethyl)piperazine (CID 64945973) is 5-tert-butyl-2-ethyl-1-(oxan-3-ylmethyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-(oxan-3-ylmethyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-(oxan-3-ylmethyl)piperazine is CCC1CNC(C(C)(C)C)CN1CC1CCCOC1.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-(oxan-3-ylmethyl)piperazine?
The InChIKey is ROSWGNVCHGNQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-14-9-17-15(16(2,3)4)11-18(14)10-13-7-6-8-19-12-13/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-(oxan-3-ylmethyl)piperazine?
5-tert-butyl-2-ethyl-1-(oxan-3-ylmethyl)piperazine has a molecular weight of 268.44 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-ethyl-1-(oxan-3-ylmethyl)piperazine is sourced from PubChem (CID 64945973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).