2,2-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine

C18H34N2O — CID 102901590

IUPAC2,2-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine
SMILESCCC1(CC)CNCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C18H34N2O/c1-3-17(4-2)15-19-12-13-20(17)14-16-8-11-18(21-16)9-6-5-7-10-18/h16,19H,3-15H2,1-2H3
InChIKeyGSRKKXPUASIITK-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.33
Rot. Bonds4

About 2,2-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine

2,2-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine (PubChem CID 102901590) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2,2-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name2,2-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine
PubChem CID102901590
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2,2-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine
SMILESCCC1(CC)CNCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C18H34N2O/c1-3-17(4-2)15-19-12-13-20(17)14-16-8-11-18(21-16)9-6-5-7-10-18/h16,19H,3-15H2,1-2H3
InChIKeyGSRKKXPUASIITK-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

2,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901640
5-ethyl-2,2-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901639
3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901662
5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901650
2-cyclopropyl-2,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901615
5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 102848065
3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901669
3,7-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901677
2-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-amine
CID 102899492
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
CID 102846459
N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 102898526

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine?
The IUPAC name of 2,2-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine (CID 102901590) is 2,2-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine.
What is the SMILES notation for 2,2-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine?
The canonical SMILES for 2,2-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine is CCC1(CC)CNCCN1CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2,2-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine?
The InChIKey is GSRKKXPUASIITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-3-17(4-2)15-19-12-13-20(17)14-16-8-11-18(21-16)9-6-5-7-10-18/h16,19H,3-15H2,1-2H3.
What are the key properties of 2,2-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine?
2,2-diethyl-1-(1-oxaspiro[4.5]decan-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 2,2-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine is sourced from PubChem (CID 102901590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).