1-(2,2-diethoxyethyl)-2,5-dimethylpiperazine

C12H26N2O2 — CID 81093833

IUPAC1-(2,2-diethoxyethyl)-2,5-dimethylpiperazine
SMILESCCOC(CN1CC(C)NCC1C)OCC
InChIInChI=1S/C12H26N2O2/c1-5-15-12(16-6-2)9-14-8-10(3)13-7-11(14)4/h10-13H,5-9H2,1-4H3
InChIKeyGFTUXPLTFZPFRU-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.07
Rot. Bonds6

About 1-(2,2-diethoxyethyl)-2,5-dimethylpiperazine

1-(2,2-diethoxyethyl)-2,5-dimethylpiperazine (PubChem CID 81093833) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)-2,5-dimethylpiperazine
PubChem CID81093833
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-(2,2-diethoxyethyl)-2,5-dimethylpiperazine
SMILESCCOC(CN1CC(C)NCC1C)OCC
InChIInChI=1S/C12H26N2O2/c1-5-15-12(16-6-2)9-14-8-10(3)13-7-11(14)4/h10-13H,5-9H2,1-4H3
InChIKeyGFTUXPLTFZPFRU-UHFFFAOYSA-N
XLogP1.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylpiperazin-1-yl)butan-2-amine
CID 67575946
3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol
CID 82850214
2,5-dimethyl-1-(2,3,3-trimethylbutyl)piperazine
CID 83147550
2-(2,5-dimethylpiperazin-1-yl)ethanamine
CID 19767343
1-dodecyl-2,5-dimethylpiperazine
CID 3030143
(5S)-2,5-dimethyl-1-prop-2-enylpiperazine
CID 91251130
2-(2,5-dimethylpiperazin-1-yl)-N-ethyl-N-methylacetamide
CID 64980824
2-butan-2-yl-5-methyl-1-(2-methylbutyl)piperazine
CID 64844318
1-(1-ethoxypropan-2-yl)-2,5-dimethylpiperazine
CID 64938351
1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
CID 65098411
4-(2,5-dimethylpiperazin-1-yl)-N,N-diethylbutanamide
CID 64980389
1-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2,5-dimethylpiperazine
CID 120906034

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)-2,5-dimethylpiperazine?
The IUPAC name of 1-(2,2-diethoxyethyl)-2,5-dimethylpiperazine (CID 81093833) is 1-(2,2-diethoxyethyl)-2,5-dimethylpiperazine.
What is the SMILES notation for 1-(2,2-diethoxyethyl)-2,5-dimethylpiperazine?
The canonical SMILES for 1-(2,2-diethoxyethyl)-2,5-dimethylpiperazine is CCOC(CN1CC(C)NCC1C)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)-2,5-dimethylpiperazine?
The InChIKey is GFTUXPLTFZPFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-15-12(16-6-2)9-14-8-10(3)13-7-11(14)4/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-(2,2-diethoxyethyl)-2,5-dimethylpiperazine?
1-(2,2-diethoxyethyl)-2,5-dimethylpiperazine has a molecular weight of 230.35 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)-2,5-dimethylpiperazine is sourced from PubChem (CID 81093833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).