4-[2-(methoxymethoxy)-3-methylphenyl]piperazine-1-carbaldehyde

C14H20N2O3 — CID 178181442

IUPAC4-[2-(methoxymethoxy)-3-methylphenyl]piperazine-1-carbaldehyde
SMILESCOCOc1c(C)cccc1N1CCN(C=O)CC1
InChIInChI=1S/C14H20N2O3/c1-12-4-3-5-13(14(12)19-11-18-2)16-8-6-15(10-17)7-9-16/h3-5,10H,6-9,11H2,1-2H3
InChIKeyIMKHAWYAZDCYQF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.26
Rot. Bonds5

About 4-[2-(methoxymethoxy)-3-methylphenyl]piperazine-1-carbaldehyde

4-[2-(methoxymethoxy)-3-methylphenyl]piperazine-1-carbaldehyde (PubChem CID 178181442) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[2-(methoxymethoxy)-3-methylphenyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(methoxymethoxy)-3-methylphenyl]piperazine-1-carbaldehyde
PubChem CID178181442
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[2-(methoxymethoxy)-3-methylphenyl]piperazine-1-carbaldehyde
SMILESCOCOc1c(C)cccc1N1CCN(C=O)CC1
InChIInChI=1S/C14H20N2O3/c1-12-4-3-5-13(14(12)19-11-18-2)16-8-6-15(10-17)7-9-16/h3-5,10H,6-9,11H2,1-2H3
InChIKeyIMKHAWYAZDCYQF-UHFFFAOYSA-N
XLogP1.26
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxymethoxy)-3-methylphenyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(methoxymethoxy)-3-methylphenyl]piperazine-1-carbaldehyde (CID 178181442) is 4-[2-(methoxymethoxy)-3-methylphenyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(methoxymethoxy)-3-methylphenyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(methoxymethoxy)-3-methylphenyl]piperazine-1-carbaldehyde is COCOc1c(C)cccc1N1CCN(C=O)CC1.
What is the InChIKey of 4-[2-(methoxymethoxy)-3-methylphenyl]piperazine-1-carbaldehyde?
The InChIKey is IMKHAWYAZDCYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-12-4-3-5-13(14(12)19-11-18-2)16-8-6-15(10-17)7-9-16/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of 4-[2-(methoxymethoxy)-3-methylphenyl]piperazine-1-carbaldehyde?
4-[2-(methoxymethoxy)-3-methylphenyl]piperazine-1-carbaldehyde has a molecular weight of 264.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxymethoxy)-3-methylphenyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 178181442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).