1-(2-methoxyethyl)-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine

C16H27N3O2 — CID 135172513

IUPAC1-(2-methoxyethyl)-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine
SMILESCOCCN1CCN(CCCOc2ccc(C)cn2)CC1
InChIInChI=1S/C16H27N3O2/c1-15-4-5-16(17-14-15)21-12-3-6-18-7-9-19(10-8-18)11-13-20-2/h4-5,14H,3,6-13H2,1-2H3
InChIKeyVLWXIHXMWVPWDP-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.42
Rot. Bonds8

About 1-(2-methoxyethyl)-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine

1-(2-methoxyethyl)-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine (PubChem CID 135172513) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine
PubChem CID135172513
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-(2-methoxyethyl)-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine
SMILESCOCCN1CCN(CCCOc2ccc(C)cn2)CC1
InChIInChI=1S/C16H27N3O2/c1-15-4-5-16(17-14-15)21-12-3-6-18-7-9-19(10-8-18)11-13-20-2/h4-5,14H,3,6-13H2,1-2H3
InChIKeyVLWXIHXMWVPWDP-UHFFFAOYSA-N
XLogP1.42
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol
CID 142390979
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-methylpyridine
CID 110269242
4-[2-[[5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 126471082
5-bromo-2-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 118523377
ethane;2-[4-[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]propyl]piperazin-1-yl]ethanol;propane
CID 142386023
1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine
CID 170591311
[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid
CID 169002752
5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine
CID 67960770
1-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507
2-[4-[3-(4-methylphenoxy)propyl]piperazin-1-yl]ethanamine
CID 19018057
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine
CID 143723108

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine (CID 135172513) is 1-(2-methoxyethyl)-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine is COCCN1CCN(CCCOc2ccc(C)cn2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine?
The InChIKey is VLWXIHXMWVPWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-15-4-5-16(17-14-15)21-12-3-6-18-7-9-19(10-8-18)11-13-20-2/h4-5,14H,3,6-13H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine?
1-(2-methoxyethyl)-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine has a molecular weight of 293.41 g/mol, XLogP of 1.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine is sourced from PubChem (CID 135172513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).