2-(methoxymethyl)-1-[(3Z,5Z)-octa-3,5,7-trienyl]piperidine

C15H25NO — CID 129084526

IUPAC2-(methoxymethyl)-1-[(3Z,5Z)-octa-3,5,7-trienyl]piperidine
SMILESC=C/C=C\C=C/CCN1CCCCC1COC
InChIInChI=1S/C15H25NO/c1-3-4-5-6-7-9-12-16-13-10-8-11-15(16)14-17-2/h3-7,15H,1,8-14H2,2H3/b5-4-,7-6-
InChIKeyZVNMMKCCQGTHBR-RZSVFLSASA-N
MW235.37 g/mol
LogP3.18
Rot. Bonds7

About 2-(methoxymethyl)-1-[(3Z,5Z)-octa-3,5,7-trienyl]piperidine

2-(methoxymethyl)-1-[(3Z,5Z)-octa-3,5,7-trienyl]piperidine (PubChem CID 129084526) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-[(3Z,5Z)-octa-3,5,7-trienyl]piperidine.

Molecular Properties

Compound Name2-(methoxymethyl)-1-[(3Z,5Z)-octa-3,5,7-trienyl]piperidine
PubChem CID129084526
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(methoxymethyl)-1-[(3Z,5Z)-octa-3,5,7-trienyl]piperidine
SMILESC=C/C=C\C=C/CCN1CCCCC1COC
InChIInChI=1S/C15H25NO/c1-3-4-5-6-7-9-12-16-13-10-8-11-15(16)14-17-2/h3-7,15H,1,8-14H2,2H3/b5-4-,7-6-
InChIKeyZVNMMKCCQGTHBR-RZSVFLSASA-N
XLogP3.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-[(3Z,5Z)-octa-3,5,7-trienyl]piperidine?
The IUPAC name of 2-(methoxymethyl)-1-[(3Z,5Z)-octa-3,5,7-trienyl]piperidine (CID 129084526) is 2-(methoxymethyl)-1-[(3Z,5Z)-octa-3,5,7-trienyl]piperidine.
What is the SMILES notation for 2-(methoxymethyl)-1-[(3Z,5Z)-octa-3,5,7-trienyl]piperidine?
The canonical SMILES for 2-(methoxymethyl)-1-[(3Z,5Z)-octa-3,5,7-trienyl]piperidine is C=C/C=C\C=C/CCN1CCCCC1COC.
What is the InChIKey of 2-(methoxymethyl)-1-[(3Z,5Z)-octa-3,5,7-trienyl]piperidine?
The InChIKey is ZVNMMKCCQGTHBR-RZSVFLSASA-N. The full InChI is InChI=1S/C15H25NO/c1-3-4-5-6-7-9-12-16-13-10-8-11-15(16)14-17-2/h3-7,15H,1,8-14H2,2H3/b5-4-,7-6-.
What are the key properties of 2-(methoxymethyl)-1-[(3Z,5Z)-octa-3,5,7-trienyl]piperidine?
2-(methoxymethyl)-1-[(3Z,5Z)-octa-3,5,7-trienyl]piperidine has a molecular weight of 235.37 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-[(3Z,5Z)-octa-3,5,7-trienyl]piperidine is sourced from PubChem (CID 129084526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).