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

C17H32N2O — CID 102901639

IUPAC5-ethyl-2,2-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
SMILESCCC1CN(CC2CCC3(CCCC3)O2)C(C)(C)CN1
InChIInChI=1S/C17H32N2O/c1-4-14-11-19(16(2,3)13-18-14)12-15-7-10-17(20-15)8-5-6-9-17/h14-15,18H,4-13H2,1-3H3
InChIKeyGTAMJWNSZLDMLB-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.94
Rot. Bonds3

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

5-ethyl-2,2-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine (PubChem CID 102901639) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 5-ethyl-2,2-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name5-ethyl-2,2-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
PubChem CID102901639
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name5-ethyl-2,2-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
SMILESCCC1CN(CC2CCC3(CCCC3)O2)C(C)(C)CN1
InChIInChI=1S/C17H32N2O/c1-4-14-11-19(16(2,3)13-18-14)12-15-7-10-17(20-15)8-5-6-9-17/h14-15,18H,4-13H2,1-3H3
InChIKeyGTAMJWNSZLDMLB-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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
The IUPAC name of 5-ethyl-2,2-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine (CID 102901639) is 5-ethyl-2,2-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine.
What is the SMILES notation for 5-ethyl-2,2-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
The canonical SMILES for 5-ethyl-2,2-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine is CCC1CN(CC2CCC3(CCCC3)O2)C(C)(C)CN1.
What is the InChIKey of 5-ethyl-2,2-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
The InChIKey is GTAMJWNSZLDMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-14-11-19(16(2,3)13-18-14)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 5-ethyl-2,2-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
5-ethyl-2,2-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 5-ethyl-2,2-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine is sourced from PubChem (CID 102901639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).