5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine

C16H32N2O — CID 64945561

IUPAC5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(CCC2CCCO2)C(C(C)C)CN1
InChIInChI=1S/C16H32N2O/c1-5-16(4)12-18(15(11-17-16)13(2)3)9-8-14-7-6-10-19-14/h13-15,17H,5-12H2,1-4H3
InChIKeyNSONIOHBGYLGOY-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.65
Rot. Bonds5

About 5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine

5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine (PubChem CID 64945561) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
PubChem CID64945561
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(CCC2CCCO2)C(C(C)C)CN1
InChIInChI=1S/C16H32N2O/c1-5-16(4)12-18(15(11-17-16)13(2)3)9-8-14-7-6-10-19-14/h13-15,17H,5-12H2,1-4H3
InChIKeyNSONIOHBGYLGOY-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-5-methyl-1-[3-(oxolan-2-yl)propyl]-2-propan-2-ylpiperazine
CID 65170433
4-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64947296
5-cyclopropyl-5-methyl-1-[3-(oxolan-2-yl)propyl]-2-propan-2-ylpiperazine
CID 65170486
5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64940459
9-[3-(oxolan-2-yl)propyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 65170041
1-(cyclohexylmethyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64848291
5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
CID 81113589
3-[2-(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421527
5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327069
5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine
CID 82947083
5,5-dimethyl-2-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170378
5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine
CID 64947304

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine (CID 64945561) is 5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine is CCC1(C)CN(CCC2CCCO2)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine?
The InChIKey is NSONIOHBGYLGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-16(4)12-18(15(11-17-16)13(2)3)9-8-14-7-6-10-19-14/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine?
5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine has a molecular weight of 268.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64945561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).