3,5-bis[2-(2-ethenoxyethoxy)ethyl]piperidine

C17H31NO4 — CID 140616673

IUPAC3,5-bis[2-(2-ethenoxyethoxy)ethyl]piperidine
SMILESC=COCCOCCC1CNCC(CCOCCOC=C)C1
InChIInChI=1S/C17H31NO4/c1-3-19-9-11-21-7-5-16-13-17(15-18-14-16)6-8-22-12-10-20-4-2/h3-4,16-18H,1-2,5-15H2
InChIKeyQUUAHSOLJFAZHC-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.35
Rot. Bonds14

About 3,5-bis[2-(2-ethenoxyethoxy)ethyl]piperidine

3,5-bis[2-(2-ethenoxyethoxy)ethyl]piperidine (PubChem CID 140616673) has the molecular formula C17H31NO4 and a molecular weight of 313.44 g/mol. Its IUPAC name is 3,5-bis[2-(2-ethenoxyethoxy)ethyl]piperidine.

Molecular Properties

Compound Name3,5-bis[2-(2-ethenoxyethoxy)ethyl]piperidine
PubChem CID140616673
Molecular FormulaC17H31NO4
Molecular Weight313.44 g/mol
Exact Mass313.23
IUPAC Name3,5-bis[2-(2-ethenoxyethoxy)ethyl]piperidine
SMILESC=COCCOCCC1CNCC(CCOCCOC=C)C1
InChIInChI=1S/C17H31NO4/c1-3-19-9-11-21-7-5-16-13-17(15-18-14-16)6-8-22-12-10-20-4-2/h3-4,16-18H,1-2,5-15H2
InChIKeyQUUAHSOLJFAZHC-UHFFFAOYSA-N
XLogP2.35
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethyl]piperidine
CID 104562002

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[2-(2-ethenoxyethoxy)ethyl]piperidine?
The IUPAC name of 3,5-bis[2-(2-ethenoxyethoxy)ethyl]piperidine (CID 140616673) is 3,5-bis[2-(2-ethenoxyethoxy)ethyl]piperidine.
What is the SMILES notation for 3,5-bis[2-(2-ethenoxyethoxy)ethyl]piperidine?
The canonical SMILES for 3,5-bis[2-(2-ethenoxyethoxy)ethyl]piperidine is C=COCCOCCC1CNCC(CCOCCOC=C)C1.
What is the InChIKey of 3,5-bis[2-(2-ethenoxyethoxy)ethyl]piperidine?
The InChIKey is QUUAHSOLJFAZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO4/c1-3-19-9-11-21-7-5-16-13-17(15-18-14-16)6-8-22-12-10-20-4-2/h3-4,16-18H,1-2,5-15H2.
What are the key properties of 3,5-bis[2-(2-ethenoxyethoxy)ethyl]piperidine?
3,5-bis[2-(2-ethenoxyethoxy)ethyl]piperidine has a molecular weight of 313.44 g/mol, XLogP of 2.35, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[2-(2-ethenoxyethoxy)ethyl]piperidine is sourced from PubChem (CID 140616673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).