3,5-dimethyl-1-(2-propoxyethyl)piperazine

C11H24N2O — CID 106455016

IUPAC3,5-dimethyl-1-(2-propoxyethyl)piperazine
SMILESCCCOCCN1CC(C)NC(C)C1
InChIInChI=1S/C11H24N2O/c1-4-6-14-7-5-13-8-10(2)12-11(3)9-13/h10-12H,4-9H2,1-3H3
InChIKeyDBULSVODTQYWJK-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds5

About 3,5-dimethyl-1-(2-propoxyethyl)piperazine

3,5-dimethyl-1-(2-propoxyethyl)piperazine (PubChem CID 106455016) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-propoxyethyl)piperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-propoxyethyl)piperazine
PubChem CID106455016
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3,5-dimethyl-1-(2-propoxyethyl)piperazine
SMILESCCCOCCN1CC(C)NC(C)C1
InChIInChI=1S/C11H24N2O/c1-4-6-14-7-5-13-8-10(2)12-11(3)9-13/h10-12H,4-9H2,1-3H3
InChIKeyDBULSVODTQYWJK-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.10
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

3,5-dimethyl-1-pentylpiperazine
CID 63862612
1-(2-propoxyethyl)pyrrolidine-3,4-diol
CID 106671973
3-methyl-1-(3-propoxypropyl)-1,4-diazepane
CID 82947779
1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine
CID 63871973
1-(2-fluoroethyl)-3,5-dimethylpiperazine
CID 80694947
(3R,5S)-3,5-dimethyl-1-(4-methylpentyl)piperazine
CID 145194084
4-bromo-3-methyl-1-(2-propoxyethyl)piperidine
CID 106457883
1-butan-2-yl-3,5-dimethylpiperazine;1-butyl-3,5-dimethylpiperazine
CID 68570113
N-methyl-1-(2-propoxyethyl)pyrrolidin-3-amine
CID 106455097
1-(2-butoxyethyl)azetidin-3-amine
CID 63760521
5-methyl-1-(2-propoxyethyl)-2-propylpiperazine
CID 106458506
1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine
CID 63872390

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-propoxyethyl)piperazine?
The IUPAC name of 3,5-dimethyl-1-(2-propoxyethyl)piperazine (CID 106455016) is 3,5-dimethyl-1-(2-propoxyethyl)piperazine.
What is the SMILES notation for 3,5-dimethyl-1-(2-propoxyethyl)piperazine?
The canonical SMILES for 3,5-dimethyl-1-(2-propoxyethyl)piperazine is CCCOCCN1CC(C)NC(C)C1.
What is the InChIKey of 3,5-dimethyl-1-(2-propoxyethyl)piperazine?
The InChIKey is DBULSVODTQYWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-6-14-7-5-13-8-10(2)12-11(3)9-13/h10-12H,4-9H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-(2-propoxyethyl)piperazine?
3,5-dimethyl-1-(2-propoxyethyl)piperazine has a molecular weight of 200.33 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-propoxyethyl)piperazine is sourced from PubChem (CID 106455016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).