1-[2-(7-methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine

C16H27NO2 — CID 90905041

IUPAC1-[2-(7-methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine
SMILESC=C(C=CCC=C(C)OC)OCCN1CCCCC1
InChIInChI=1S/C16H27NO2/c1-15(18-3)9-5-6-10-16(2)19-14-13-17-11-7-4-8-12-17/h6,9-10H,2,4-5,7-8,11-14H2,1,3H3
InChIKeyORSBPQQLDJTKNT-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.50
Rot. Bonds8

About 1-[2-(7-methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine

1-[2-(7-methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine (PubChem CID 90905041) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[2-(7-methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(7-methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine
PubChem CID90905041
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[2-(7-methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine
SMILESC=C(C=CCC=C(C)OC)OCCN1CCCCC1
InChIInChI=1S/C16H27NO2/c1-15(18-3)9-5-6-10-16(2)19-14-13-17-11-7-4-8-12-17/h6,9-10H,2,4-5,7-8,11-14H2,1,3H3
InChIKeyORSBPQQLDJTKNT-UHFFFAOYSA-N
XLogP3.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine?
The IUPAC name of 1-[2-(7-methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine (CID 90905041) is 1-[2-(7-methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(7-methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(7-methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine is C=C(C=CCC=C(C)OC)OCCN1CCCCC1.
What is the InChIKey of 1-[2-(7-methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine?
The InChIKey is ORSBPQQLDJTKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-15(18-3)9-5-6-10-16(2)19-14-13-17-11-7-4-8-12-17/h6,9-10H,2,4-5,7-8,11-14H2,1,3H3.
What are the key properties of 1-[2-(7-methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine?
1-[2-(7-methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine has a molecular weight of 265.40 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-methoxyocta-1,3,6-trien-2-yloxy)ethyl]piperidine is sourced from PubChem (CID 90905041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).