3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine

C12H24N2O2 — CID 104766369

IUPAC3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine
SMILESCCC1CN(CC2(OC)CCOC2)CCN1
InChIInChI=1S/C12H24N2O2/c1-3-11-8-14(6-5-13-11)9-12(15-2)4-7-16-10-12/h11,13H,3-10H2,1-2H3
InChIKeyIDMVXBPWUZCVDH-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.48
Rot. Bonds4

About 3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine

3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine (PubChem CID 104766369) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine.

Molecular Properties

Compound Name3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine
PubChem CID104766369
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine
SMILESCCC1CN(CC2(OC)CCOC2)CCN1
InChIInChI=1S/C12H24N2O2/c1-3-11-8-14(6-5-13-11)9-12(15-2)4-7-16-10-12/h11,13H,3-10H2,1-2H3
InChIKeyIDMVXBPWUZCVDH-UHFFFAOYSA-N
XLogP0.48
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane
CID 113450811
3-tert-butyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane
CID 104766407
1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine
CID 104761944
N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine
CID 104761942
1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 113450335
N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 104762040
1-(2-ethoxy-2-methylpropyl)-3-ethylpiperazine
CID 114944433
1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one
CID 104761898
3-methyl-1-[(3-methyloxolan-3-yl)methyl]piperazine
CID 130854730
3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione
CID 104766542
2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one
CID 113451101
1-(2-bromoethyl)-3-ethylpiperazine
CID 173202340

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine?
The IUPAC name of 3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine (CID 104766369) is 3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine.
What is the SMILES notation for 3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine?
The canonical SMILES for 3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine is CCC1CN(CC2(OC)CCOC2)CCN1.
What is the InChIKey of 3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine?
The InChIKey is IDMVXBPWUZCVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-11-8-14(6-5-13-11)9-12(15-2)4-7-16-10-12/h11,13H,3-10H2,1-2H3.
What are the key properties of 3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine?
3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine has a molecular weight of 228.34 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine is sourced from PubChem (CID 104766369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).