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

C16H32N2O — CID 116524491

IUPAC1-[(5,5-dimethyloxolan-2-yl)methyl]-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(CC2CCC(C)(C)O2)C(C(C)C)CN1
InChIInChI=1S/C16H32N2O/c1-6-13-10-18(15(9-17-13)12(2)3)11-14-7-8-16(4,5)19-14/h12-15,17H,6-11H2,1-5H3
InChIKeyNELFIOIYQDAOLJ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.65
Rot. Bonds4

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

1-[(5,5-dimethyloxolan-2-yl)methyl]-5-ethyl-2-propan-2-ylpiperazine (PubChem CID 116524491) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-ethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methyl]-5-ethyl-2-propan-2-ylpiperazine
PubChem CID116524491
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methyl]-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(CC2CCC(C)(C)O2)C(C(C)C)CN1
InChIInChI=1S/C16H32N2O/c1-6-13-10-18(15(9-17-13)12(2)3)11-14-7-8-16(4,5)19-14/h12-15,17H,6-11H2,1-5H3
InChIKeyNELFIOIYQDAOLJ-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

1-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-5-propylpiperazine
CID 116524455
2-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-4-methylmorpholine
CID 79077325
5-ethyl-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64843674
1-[(5,5-dimethyloxolan-2-yl)methyl]-2,5-diethyl-2-methylpiperazine
CID 116524497
5-ethyl-1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
CID 64948246
5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine
CID 102908491
1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 103141224
2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine
CID 64843292
2,5-dicyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine
CID 116524565
5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine
CID 114516829
5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine
CID 64942232
5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine
CID 64841740

Frequently Asked Questions

What is the IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-ethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-ethyl-2-propan-2-ylpiperazine (CID 116524491) is 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-ethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-ethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-ethyl-2-propan-2-ylpiperazine is CCC1CN(CC2CCC(C)(C)O2)C(C(C)C)CN1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-ethyl-2-propan-2-ylpiperazine?
The InChIKey is NELFIOIYQDAOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-6-13-10-18(15(9-17-13)12(2)3)11-14-7-8-16(4,5)19-14/h12-15,17H,6-11H2,1-5H3.
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-ethyl-2-propan-2-ylpiperazine?
1-[(5,5-dimethyloxolan-2-yl)methyl]-5-ethyl-2-propan-2-ylpiperazine has a molecular weight of 268.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyloxolan-2-yl)methyl]-5-ethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 116524491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).