3-methoxypropyl 3-piperidin-4-yloxypropanoate

C12H23NO4 — CID 63869572

IUPAC3-methoxypropyl 3-piperidin-4-yloxypropanoate
SMILESCOCCCOC(=O)CCOC1CCNCC1
InChIInChI=1S/C12H23NO4/c1-15-8-2-9-17-12(14)5-10-16-11-3-6-13-7-4-11/h11,13H,2-10H2,1H3
InChIKeyCFEREBZLDXAYKB-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.72
Rot. Bonds8

About 3-methoxypropyl 3-piperidin-4-yloxypropanoate

3-methoxypropyl 3-piperidin-4-yloxypropanoate (PubChem CID 63869572) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-methoxypropyl 3-piperidin-4-yloxypropanoate.

Molecular Properties

Compound Name3-methoxypropyl 3-piperidin-4-yloxypropanoate
PubChem CID63869572
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name3-methoxypropyl 3-piperidin-4-yloxypropanoate
SMILESCOCCCOC(=O)CCOC1CCNCC1
InChIInChI=1S/C12H23NO4/c1-15-8-2-9-17-12(14)5-10-16-11-3-6-13-7-4-11/h11,13H,2-10H2,1H3
InChIKeyCFEREBZLDXAYKB-UHFFFAOYSA-N
XLogP0.72
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl 3-piperidin-4-yloxypropanoate?
The IUPAC name of 3-methoxypropyl 3-piperidin-4-yloxypropanoate (CID 63869572) is 3-methoxypropyl 3-piperidin-4-yloxypropanoate.
What is the SMILES notation for 3-methoxypropyl 3-piperidin-4-yloxypropanoate?
The canonical SMILES for 3-methoxypropyl 3-piperidin-4-yloxypropanoate is COCCCOC(=O)CCOC1CCNCC1.
What is the InChIKey of 3-methoxypropyl 3-piperidin-4-yloxypropanoate?
The InChIKey is CFEREBZLDXAYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-15-8-2-9-17-12(14)5-10-16-11-3-6-13-7-4-11/h11,13H,2-10H2,1H3.
What are the key properties of 3-methoxypropyl 3-piperidin-4-yloxypropanoate?
3-methoxypropyl 3-piperidin-4-yloxypropanoate has a molecular weight of 245.32 g/mol, XLogP of 0.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl 3-piperidin-4-yloxypropanoate is sourced from PubChem (CID 63869572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).