1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine

C11H24N2O2 — CID 103181598

IUPAC1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine
SMILESCOCCCOCCN1CCNC(C)C1
InChIInChI=1S/C11H24N2O2/c1-11-10-13(5-4-12-11)6-9-15-8-3-7-14-2/h11-12H,3-10H2,1-2H3
InChIKeyMXNKOAZAPUUGHL-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.33
Rot. Bonds7

About 1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine

1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine (PubChem CID 103181598) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine
PubChem CID103181598
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine
SMILESCOCCCOCCN1CCNC(C)C1
InChIInChI=1S/C11H24N2O2/c1-11-10-13(5-4-12-11)6-9-15-8-3-7-14-2/h11-12H,3-10H2,1-2H3
InChIKeyMXNKOAZAPUUGHL-UHFFFAOYSA-N
XLogP0.33
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.33
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

1-[3-(2-methoxyethoxy)propyl]-3-methylpiperazine
CID 103411083
1-[4-(2-methoxyethoxy)butyl]-3-methyl-1,4-diazepane
CID 113464190
(3R)-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 104975515
3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine
CID 103184094
(3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol
CID 103182790
3-methyl-1-(3-propoxypropyl)-1,4-diazepane
CID 82947779
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol
CID 103182854
1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine
CID 103181610
(3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 104976707
1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine
CID 103177262
1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)piperazine
CID 103414044
(3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol
CID 103182797

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine (CID 103181598) is 1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine is COCCCOCCN1CCNC(C)C1.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine?
The InChIKey is MXNKOAZAPUUGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-11-10-13(5-4-12-11)6-9-15-8-3-7-14-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine?
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine has a molecular weight of 216.32 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine is sourced from PubChem (CID 103181598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).