3-ethyl-3-methyl-1-(2-propoxyethyl)piperazine

C12H26N2O — CID 106458469

IUPAC3-ethyl-3-methyl-1-(2-propoxyethyl)piperazine
SMILESCCCOCCN1CCNC(C)(CC)C1
InChIInChI=1S/C12H26N2O/c1-4-9-15-10-8-14-7-6-13-12(3,5-2)11-14/h13H,4-11H2,1-3H3
InChIKeyPTMOKGWNXZMDRD-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds6

About 3-ethyl-3-methyl-1-(2-propoxyethyl)piperazine

3-ethyl-3-methyl-1-(2-propoxyethyl)piperazine (PubChem CID 106458469) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(2-propoxyethyl)piperazine.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(2-propoxyethyl)piperazine
PubChem CID106458469
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-ethyl-3-methyl-1-(2-propoxyethyl)piperazine
SMILESCCCOCCN1CCNC(C)(CC)C1
InChIInChI=1S/C12H26N2O/c1-4-9-15-10-8-14-7-6-13-12(3,5-2)11-14/h13H,4-11H2,1-3H3
InChIKeyPTMOKGWNXZMDRD-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-3-methyl-1-(2-propoxyethyl)-1,4-diazepane
CID 106458861
1-(3-ethoxypropyl)-3-ethyl-3-methylpiperazine
CID 64925802
1-(2-butoxyethyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64870534
9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane
CID 106458471
3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3-methyl-1,4-diazepane
CID 103414496
1-(3,3-dimethylbutyl)-3-ethyl-3-methylpiperazine
CID 64832654
3-ethyl-3,7-dimethyl-1-(2-propoxyethyl)-1,4-diazepane
CID 106458890
2-tert-butyl-5-ethyl-5-methyl-1-(2-propoxyethyl)piperazine
CID 106458706
3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine
CID 64923987
1-(2-butoxyethyl)-3,3-dimethyl-1,4-diazepane
CID 64870671
3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one
CID 106456403
1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine
CID 103414045

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(2-propoxyethyl)piperazine?
The IUPAC name of 3-ethyl-3-methyl-1-(2-propoxyethyl)piperazine (CID 106458469) is 3-ethyl-3-methyl-1-(2-propoxyethyl)piperazine.
What is the SMILES notation for 3-ethyl-3-methyl-1-(2-propoxyethyl)piperazine?
The canonical SMILES for 3-ethyl-3-methyl-1-(2-propoxyethyl)piperazine is CCCOCCN1CCNC(C)(CC)C1.
What is the InChIKey of 3-ethyl-3-methyl-1-(2-propoxyethyl)piperazine?
The InChIKey is PTMOKGWNXZMDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-9-15-10-8-14-7-6-13-12(3,5-2)11-14/h13H,4-11H2,1-3H3.
What are the key properties of 3-ethyl-3-methyl-1-(2-propoxyethyl)piperazine?
3-ethyl-3-methyl-1-(2-propoxyethyl)piperazine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(2-propoxyethyl)piperazine is sourced from PubChem (CID 106458469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).