4-[(3Z)-5-(methoxymethyl)hexa-1,3,5-trien-2-yl]oxy-1-methylpiperidine

C14H23NO2 — CID 142009440

IUPAC4-[(3Z)-5-(methoxymethyl)hexa-1,3,5-trien-2-yl]oxy-1-methylpiperidine
SMILESC=C(/C=C\C(=C)OC1CCN(C)CC1)COC
InChIInChI=1S/C14H23NO2/c1-12(11-16-4)5-6-13(2)17-14-7-9-15(3)10-8-14/h5-6,14H,1-2,7-11H2,3-4H3/b6-5-
InChIKeyCSURXGLWLJRUDT-WAYWQWQTSA-N
MW237.34 g/mol
LogP2.37
Rot. Bonds6

About 4-[(3Z)-5-(methoxymethyl)hexa-1,3,5-trien-2-yl]oxy-1-methylpiperidine

4-[(3Z)-5-(methoxymethyl)hexa-1,3,5-trien-2-yl]oxy-1-methylpiperidine (PubChem CID 142009440) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[(3Z)-5-(methoxymethyl)hexa-1,3,5-trien-2-yl]oxy-1-methylpiperidine.

Molecular Properties

Compound Name4-[(3Z)-5-(methoxymethyl)hexa-1,3,5-trien-2-yl]oxy-1-methylpiperidine
PubChem CID142009440
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[(3Z)-5-(methoxymethyl)hexa-1,3,5-trien-2-yl]oxy-1-methylpiperidine
SMILESC=C(/C=C\C(=C)OC1CCN(C)CC1)COC
InChIInChI=1S/C14H23NO2/c1-12(11-16-4)5-6-13(2)17-14-7-9-15(3)10-8-14/h5-6,14H,1-2,7-11H2,3-4H3/b6-5-
InChIKeyCSURXGLWLJRUDT-WAYWQWQTSA-N
XLogP2.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.37
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 4-[(3Z)-5-(methoxymethyl)hexa-1,3,5-trien-2-yl]oxy-1-methylpiperidine?
The IUPAC name of 4-[(3Z)-5-(methoxymethyl)hexa-1,3,5-trien-2-yl]oxy-1-methylpiperidine (CID 142009440) is 4-[(3Z)-5-(methoxymethyl)hexa-1,3,5-trien-2-yl]oxy-1-methylpiperidine.
What is the SMILES notation for 4-[(3Z)-5-(methoxymethyl)hexa-1,3,5-trien-2-yl]oxy-1-methylpiperidine?
The canonical SMILES for 4-[(3Z)-5-(methoxymethyl)hexa-1,3,5-trien-2-yl]oxy-1-methylpiperidine is C=C(/C=C\C(=C)OC1CCN(C)CC1)COC.
What is the InChIKey of 4-[(3Z)-5-(methoxymethyl)hexa-1,3,5-trien-2-yl]oxy-1-methylpiperidine?
The InChIKey is CSURXGLWLJRUDT-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12(11-16-4)5-6-13(2)17-14-7-9-15(3)10-8-14/h5-6,14H,1-2,7-11H2,3-4H3/b6-5-.
What are the key properties of 4-[(3Z)-5-(methoxymethyl)hexa-1,3,5-trien-2-yl]oxy-1-methylpiperidine?
4-[(3Z)-5-(methoxymethyl)hexa-1,3,5-trien-2-yl]oxy-1-methylpiperidine has a molecular weight of 237.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z)-5-(methoxymethyl)hexa-1,3,5-trien-2-yl]oxy-1-methylpiperidine is sourced from PubChem (CID 142009440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).