2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate

C14H27NO5 — CID 103178763

IUPAC2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate
SMILESCOCCCOCCOC(=O)CCOC1CCNCC1
InChIInChI=1S/C14H27NO5/c1-17-8-2-9-18-11-12-20-14(16)5-10-19-13-3-6-15-7-4-13/h13,15H,2-12H2,1H3
InChIKeyGXAPRZLSOQNCQY-UHFFFAOYSA-N
MW289.37 g/mol
LogP0.74
Rot. Bonds11

About 2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate

2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate (PubChem CID 103178763) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate.

Molecular Properties

Compound Name2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate
PubChem CID103178763
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate
SMILESCOCCCOCCOC(=O)CCOC1CCNCC1
InChIInChI=1S/C14H27NO5/c1-17-8-2-9-18-11-12-20-14(16)5-10-19-13-3-6-15-7-4-13/h13,15H,2-12H2,1H3
InChIKeyGXAPRZLSOQNCQY-UHFFFAOYSA-N
XLogP0.74
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl 3-piperidin-4-yloxypropanoate
CID 63869912
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]piperidine;hydrochloride
CID 118540846
4-[2-(3-methoxypropoxy)ethoxy]azepane
CID 103175847
2-cyclobutylethyl 3-piperidin-4-yloxypropanoate
CID 106203080
2-(3-methoxypropoxy)ethyl 6-aminohexanoate
CID 103178476
2-methylpentyl 3-piperidin-4-yloxypropanoate
CID 103284367
2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate
CID 103178608
2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate
CID 174833207
cyclopentyl 3-piperidin-4-yloxypropanoate
CID 55252240
N-(4-methoxybutyl)-2-piperidin-4-yloxyacetamide
CID 63875375
2-piperidin-4-yloxyethyl acetate;hydrochloride
CID 172841585
ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate
CID 103176658

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate?
The IUPAC name of 2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate (CID 103178763) is 2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate.
What is the SMILES notation for 2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate?
The canonical SMILES for 2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate is COCCCOCCOC(=O)CCOC1CCNCC1.
What is the InChIKey of 2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate?
The InChIKey is GXAPRZLSOQNCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-17-8-2-9-18-11-12-20-14(16)5-10-19-13-3-6-15-7-4-13/h13,15H,2-12H2,1H3.
What are the key properties of 2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate?
2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate has a molecular weight of 289.37 g/mol, XLogP of 0.74, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate is sourced from PubChem (CID 103178763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).