2-methoxyacetic acid;1-(3-methoxypropyl)piperidine

C12H25NO4 — CID 174749833

IUPAC2-methoxyacetic acid;1-(3-methoxypropyl)piperidine
SMILESCOCC(=O)O.COCCCN1CCCCC1
InChIInChI=1S/C9H19NO.C3H6O3/c1-11-9-5-8-10-6-3-2-4-7-10;1-6-2-3(4)5/h2-9H2,1H3;2H2,1H3,(H,4,5)
InChIKeyQOMFPZSTRGHSCS-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.23
Rot. Bonds6

About 2-methoxyacetic acid;1-(3-methoxypropyl)piperidine

2-methoxyacetic acid;1-(3-methoxypropyl)piperidine (PubChem CID 174749833) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-methoxyacetic acid;1-(3-methoxypropyl)piperidine.

Molecular Properties

Compound Name2-methoxyacetic acid;1-(3-methoxypropyl)piperidine
PubChem CID174749833
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name2-methoxyacetic acid;1-(3-methoxypropyl)piperidine
SMILESCOCC(=O)O.COCCCN1CCCCC1
InChIInChI=1S/C9H19NO.C3H6O3/c1-11-9-5-8-10-6-3-2-4-7-10;1-6-2-3(4)5/h2-9H2,1H3;2H2,1H3,(H,4,5)
InChIKeyQOMFPZSTRGHSCS-UHFFFAOYSA-N
XLogP1.23
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxyacetic acid;1-(3-methoxypropyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-(8-methoxyoctyl)piperidine
CID 142390794
ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine
CID 143723108
2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]acetic acid
CID 103410865
3-piperidin-1-ylpropyl hydrogen carbonate
CID 23210465
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
2-methoxy-N-(4-piperidin-1-ylbutyl)acetamide
CID 110443559
ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine
CID 142390245
1-(2-methoxyethyl)azocane
CID 47014834
2-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 113220096
1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one
CID 153411883
but-2-enedioic acid;1-(2-methoxyethyl)pyrrolidine
CID 71419746
3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine
CID 175288868

Frequently Asked Questions

What is the IUPAC name of 2-methoxyacetic acid;1-(3-methoxypropyl)piperidine?
The IUPAC name of 2-methoxyacetic acid;1-(3-methoxypropyl)piperidine (CID 174749833) is 2-methoxyacetic acid;1-(3-methoxypropyl)piperidine.
What is the SMILES notation for 2-methoxyacetic acid;1-(3-methoxypropyl)piperidine?
The canonical SMILES for 2-methoxyacetic acid;1-(3-methoxypropyl)piperidine is COCC(=O)O.COCCCN1CCCCC1.
What is the InChIKey of 2-methoxyacetic acid;1-(3-methoxypropyl)piperidine?
The InChIKey is QOMFPZSTRGHSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C3H6O3/c1-11-9-5-8-10-6-3-2-4-7-10;1-6-2-3(4)5/h2-9H2,1H3;2H2,1H3,(H,4,5).
What are the key properties of 2-methoxyacetic acid;1-(3-methoxypropyl)piperidine?
2-methoxyacetic acid;1-(3-methoxypropyl)piperidine has a molecular weight of 247.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyacetic acid;1-(3-methoxypropyl)piperidine is sourced from PubChem (CID 174749833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).