2,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine

C18H34N2O — CID 102901640

IUPAC2,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
SMILESCCC1CN(CC2CCC3(CCCC3)O2)C(C)(CC)CN1
InChIInChI=1S/C18H34N2O/c1-4-15-12-20(17(3,5-2)14-19-15)13-16-8-11-18(21-16)9-6-7-10-18/h15-16,19H,4-14H2,1-3H3
InChIKeyCEFZBODGYOBKCW-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.33
Rot. Bonds4

About 2,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine

2,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine (PubChem CID 102901640) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name2,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
PubChem CID102901640
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
SMILESCCC1CN(CC2CCC3(CCCC3)O2)C(C)(CC)CN1
InChIInChI=1S/C18H34N2O/c1-4-15-12-20(17(3,5-2)14-19-15)13-16-8-11-18(21-16)9-6-7-10-18/h15-16,19H,4-14H2,1-3H3
InChIKeyCEFZBODGYOBKCW-UHFFFAOYSA-N
XLogP3.33
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2,2-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901639
1-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-diethyl-2-methylpiperazine
CID 116524497
3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901669
2-cyclopropyl-2,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901615
2,2-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine
CID 102901590
3,7-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901677
2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901626
5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901650
3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901662
3-ethyl-3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,5-dione
CID 102901713
2,5-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-2-methylpiperazine
CID 64842563
2,5-diethyl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine
CID 103184518

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
The IUPAC name of 2,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine (CID 102901640) is 2,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine.
What is the SMILES notation for 2,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
The canonical SMILES for 2,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine is CCC1CN(CC2CCC3(CCCC3)O2)C(C)(CC)CN1.
What is the InChIKey of 2,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
The InChIKey is CEFZBODGYOBKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-4-15-12-20(17(3,5-2)14-19-15)13-16-8-11-18(21-16)9-6-7-10-18/h15-16,19H,4-14H2,1-3H3.
What are the key properties of 2,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
2,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine has a molecular weight of 294.48 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine is sourced from PubChem (CID 102901640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).