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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Related Compounds

1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine
CID 142009799
4-(4-Fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine
CID 143392129
1-methyl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxypiperidine
CID 143394649
1-Butyl-4-(5-fluorocyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502498
1-Ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502855
1-(3-Cyclohexa-2,5-dien-1-yloxypropyl)piperidine
CID 57115460
N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine
CID 89122683
8-ethyl-2-methyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 130220142
N,N-dimethyl-3-[(Z)-3-methyl-2-methylidenepent-3-enoxy]pentan-1-amine
CID 137428971
1-(cyclopropylmethyl)-4-[3-[(3E)-penta-1,3-dien-3-yl]cyclohepta-1,2,4,6-tetraen-1-yl]oxypiperidine
CID 139384049
1-Methyl-4-(7-methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
CID 139541228
ethane;1-[2-[(3Z)-6-methyl-5-methylidenehepta-1,3,6-trien-2-yl]oxyethyl]piperidine
CID 141825118

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).