2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine

C17H32N2O — CID 102901626

IUPAC2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
SMILESCCC1CNC(C)(C)CN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C17H32N2O/c1-4-14-11-18-16(2,3)13-19(14)12-15-7-10-17(20-15)8-5-6-9-17/h14-15,18H,4-13H2,1-3H3
InChIKeyISERBRBFULUEOE-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.94
Rot. Bonds3

About 2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine

2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine (PubChem CID 102901626) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
PubChem CID102901626
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
SMILESCCC1CNC(C)(C)CN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C17H32N2O/c1-4-14-11-18-16(2,3)13-19(14)12-15-7-10-17(20-15)8-5-6-9-17/h14-15,18H,4-13H2,1-3H3
InChIKeyISERBRBFULUEOE-UHFFFAOYSA-N
XLogP2.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901650
1-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-diethyl-5-methylpiperazine
CID 116524523
3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901662
2-ethyl-5,5-dimethyl-1-[(2-methylcyclohexyl)methyl]piperazine
CID 64945745
2-cyclopropyl-2,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901615
5-ethyl-2,2-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901639
8-ethyl-9-(oxan-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877745
2,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901640
2-ethyl-5,5-dimethyl-1-(1-methylcyclopentyl)piperazine
CID 64940144
5-(1-oxaspiro[4.5]decan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 102848065
3,7-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901677
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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
The IUPAC name of 2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine (CID 102901626) is 2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine.
What is the SMILES notation for 2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
The canonical SMILES for 2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine is CCC1CNC(C)(C)CN1CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
The InChIKey is ISERBRBFULUEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-14-11-18-16(2,3)13-19(14)12-15-7-10-17(20-15)8-5-6-9-17/h14-15,18H,4-13H2,1-3H3.
What are the key properties of 2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine has a molecular weight of 280.46 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine is sourced from PubChem (CID 102901626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).