1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine

C12H26N2O2 — CID 103414045

IUPAC1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine
SMILESCOCCOCCCN1CCNC(C)(C)C1
InChIInChI=1S/C12H26N2O2/c1-12(2)11-14(7-5-13-12)6-4-8-16-10-9-15-3/h13H,4-11H2,1-3H3
InChIKeyICAVIRXGOAZQQD-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.72
Rot. Bonds7

About 1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine

1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine (PubChem CID 103414045) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine
PubChem CID103414045
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine
SMILESCOCCOCCCN1CCNC(C)(C)C1
InChIInChI=1S/C12H26N2O2/c1-12(2)11-14(7-5-13-12)6-4-8-16-10-9-15-3/h13H,4-11H2,1-3H3
InChIKeyICAVIRXGOAZQQD-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3-methyl-1,4-diazepane
CID 103414496
1-(2-butoxyethyl)-3,3-dimethyl-1,4-diazepane
CID 64870671
10-[3-(2-methoxyethoxy)propyl]-6,10-diazaspiro[4.6]undecane
CID 103414486
1-[2-(2-methoxyethoxy)ethyl]-3,3,7-trimethyl-1,4-diazepane
CID 64871190
3,3-dimethyl-1-(7-methyloctyl)piperazine
CID 107818461
1-(3-ethoxypropyl)-3-ethyl-3-methylpiperazine
CID 64925802
1-[3-(2-methoxyethoxy)propyl]-3-methylpiperazine
CID 103411083
3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine
CID 64834039
ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482
1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine
CID 103414152
3-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine
CID 64926000
2-[2-(2-methoxyethoxy)ethyl]-2,7-diazaspiro[4.4]nonane
CID 82038602

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine (CID 103414045) is 1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine is COCCOCCCN1CCNC(C)(C)C1.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine?
The InChIKey is ICAVIRXGOAZQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-12(2)11-14(7-5-13-12)6-4-8-16-10-9-15-3/h13H,4-11H2,1-3H3.
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine?
1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine has a molecular weight of 230.35 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine is sourced from PubChem (CID 103414045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).