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

C18H34N2O — CID 102901650

IUPAC5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
SMILESCCC1(CC)CN(CC2CCC3(CCCC3)O2)C(C)CN1
InChIInChI=1S/C18H34N2O/c1-4-17(5-2)14-20(15(3)12-19-17)13-16-8-11-18(21-16)9-6-7-10-18/h15-16,19H,4-14H2,1-3H3
InChIKeyVIUUWXNXXXMBTI-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.33
Rot. Bonds4

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

5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine (PubChem CID 102901650) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
PubChem CID102901650
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
SMILESCCC1(CC)CN(CC2CCC3(CCCC3)O2)C(C)CN1
InChIInChI=1S/C18H34N2O/c1-4-17(5-2)14-20(15(3)12-19-17)13-16-8-11-18(21-16)9-6-7-10-18/h15-16,19H,4-14H2,1-3H3
InChIKeyVIUUWXNXXXMBTI-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

2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901626
1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-diethyl-7-methyl-1,4-diazepane
CID 116524616
3,7-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901677
2-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-4-methylmorpholine
CID 79078121
5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine
CID 64947875
4-methyl-5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 102899450
2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 102899249
2-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-amine
CID 102899492
2,2-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine
CID 102901590
2-cyclopropyl-2,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901615
1-cyclobutyl-5,5-diethyl-2-methylpiperazine
CID 64948334
2,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901640

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
The IUPAC name of 5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine (CID 102901650) is 5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine.
What is the SMILES notation for 5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
The canonical SMILES for 5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine is CCC1(CC)CN(CC2CCC3(CCCC3)O2)C(C)CN1.
What is the InChIKey of 5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
The InChIKey is VIUUWXNXXXMBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-4-17(5-2)14-20(15(3)12-19-17)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 5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
5,5-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 5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine is sourced from PubChem (CID 102901650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).