4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine

C12H25NO3 — CID 56829888

IUPAC4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
SMILESCOCCOCCOCCC1CCNCC1
InChIInChI=1S/C12H25NO3/c1-14-8-9-16-11-10-15-7-4-12-2-5-13-6-3-12/h12-13H,2-11H2,1H3
InChIKeyANKCOHZEHZJMHB-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.06
Rot. Bonds9

About 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine

4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine (PubChem CID 56829888) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
PubChem CID56829888
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
SMILESCOCCOCCOCCC1CCNCC1
InChIInChI=1S/C12H25NO3/c1-14-8-9-16-11-10-15-7-4-12-2-5-13-6-3-12/h12-13H,2-11H2,1H3
InChIKeyANKCOHZEHZJMHB-UHFFFAOYSA-N
XLogP1.06
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine?
The IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine (CID 56829888) is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine.
What is the SMILES notation for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine?
The canonical SMILES for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine is COCCOCCOCCC1CCNCC1.
What is the InChIKey of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine?
The InChIKey is ANKCOHZEHZJMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-14-8-9-16-11-10-15-7-4-12-2-5-13-6-3-12/h12-13H,2-11H2,1H3.
What are the key properties of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine?
4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine has a molecular weight of 231.34 g/mol, XLogP of 1.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine is sourced from PubChem (CID 56829888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).