4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine

C12H19NO — CID 142009560

IUPAC4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine
SMILESC=C/C=C(\C=C)OC1CCN(C)CC1
InChIInChI=1S/C12H19NO/c1-4-6-11(5-2)14-12-7-9-13(3)10-8-12/h4-6,12H,1-2,7-10H2,3H3/b11-6+
InChIKeyFSJHRYYSLIUXGP-IZZDOVSWSA-N
MW193.29 g/mol
LogP2.35
Rot. Bonds4

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

4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine (PubChem CID 142009560) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine.

Molecular Properties

Compound Name4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine
PubChem CID142009560
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine
SMILESC=C/C=C(\C=C)OC1CCN(C)CC1
InChIInChI=1S/C12H19NO/c1-4-6-11(5-2)14-12-7-9-13(3)10-8-12/h4-6,12H,1-2,7-10H2,3H3/b11-6+
InChIKeyFSJHRYYSLIUXGP-IZZDOVSWSA-N
XLogP2.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane
CID 123746501
[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane
CID 178055171
bis(1-methylpiperidin-4-yl) carbonate;hydrochloride
CID 175100790
N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine
CID 143501789
N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine
CID 144962808
ethane;4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-2-methylpyrrolidine-1-carbonitrile
CID 156892578
4-hepta-1,3,5-trien-3-yloxypiperidine
CID 90980595
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine
CID 88582834
1,4-dimethylpiperidine;(3Z,5Z)-4-ethenylhepta-1,3,5-triene
CID 143658609
(1E,3E)-1-(methylideneamino)-1-(1-methylpiperidin-4-yl)oxypenta-1,3-dien-3-amine
CID 167251375
(3S)-3-ethenoxy-1-methylpyrrolidine
CID 59825161
1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine
CID 142926355

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine?
The IUPAC name of 4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine (CID 142009560) is 4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine.
What is the SMILES notation for 4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine?
The canonical SMILES for 4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine is C=C/C=C(\C=C)OC1CCN(C)CC1.
What is the InChIKey of 4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine?
The InChIKey is FSJHRYYSLIUXGP-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-6-11(5-2)14-12-7-9-13(3)10-8-12/h4-6,12H,1-2,7-10H2,3H3/b11-6+.
What are the key properties of 4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine?
4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine has a molecular weight of 193.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine is sourced from PubChem (CID 142009560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).