4-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-1-(methoxymethyl)piperidine

C14H23NO2 — CID 143576542

IUPAC4-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-1-(methoxymethyl)piperidine
SMILESC=C(/C=C\C(=C)C1CCN(COC)CC1)OC
InChIInChI=1S/C14H23NO2/c1-12(5-6-13(2)17-4)14-7-9-15(10-8-14)11-16-3/h5-6,14H,1-2,7-11H2,3-4H3/b6-5-
InChIKeyNRWFAFBZCXNMIH-WAYWQWQTSA-N
MW237.34 g/mol
LogP2.57
Rot. Bonds6

About 4-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-1-(methoxymethyl)piperidine

4-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-1-(methoxymethyl)piperidine (PubChem CID 143576542) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-1-(methoxymethyl)piperidine.

Molecular Properties

Compound Name4-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-1-(methoxymethyl)piperidine
PubChem CID143576542
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-1-(methoxymethyl)piperidine
SMILESC=C(/C=C\C(=C)C1CCN(COC)CC1)OC
InChIInChI=1S/C14H23NO2/c1-12(5-6-13(2)17-4)14-7-9-15(10-8-14)11-16-3/h5-6,14H,1-2,7-11H2,3-4H3/b6-5-
InChIKeyNRWFAFBZCXNMIH-WAYWQWQTSA-N
XLogP2.57
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 ≤ 52.57
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

7-methoxy-2-methyl-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 130246078
1-[(3E,5Z)-3-fluoro-7-methoxy-2-methylocta-3,5,7-trienyl]piperidine
CID 144302450
(3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(15),3,5,7,18-pentaene;hydrochloride
CID 20509355
1-[(4-Methoxy-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)methyl]piperidine
CID 21283386
12-Methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(15),3,5,7,18-pentaene
CID 56636282
6,7-dimethoxy-2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline
CID 70547939
4-[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 88308841
4-(2-Ethyl-4-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-methanidylpiperidin-5-ide
CID 91077745
1-[(3Z,5Z)-7-[(2E,4Z)-hepta-2,4-dien-3-yl]oxyocta-3,5-dienyl]-4-[4-[(1E,3Z,5E)-5-methylhepta-1,3,5-trienyl]cyclohexa-1,5-dien-1-yl]piperidine
CID 122651439
4-(3-Methoxy-4,6-dimethylcyclohexa-2,4-dien-1-yl)-1-methylpiperidine
CID 126490204
1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine
CID 129295937
(5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine
CID 139419803

Frequently Asked Questions

What is the IUPAC name of 4-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-1-(methoxymethyl)piperidine?
The IUPAC name of 4-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-1-(methoxymethyl)piperidine (CID 143576542) is 4-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-1-(methoxymethyl)piperidine.
What is the SMILES notation for 4-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-1-(methoxymethyl)piperidine?
The canonical SMILES for 4-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-1-(methoxymethyl)piperidine is C=C(/C=C\C(=C)C1CCN(COC)CC1)OC.
What is the InChIKey of 4-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-1-(methoxymethyl)piperidine?
The InChIKey is NRWFAFBZCXNMIH-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12(5-6-13(2)17-4)14-7-9-15(10-8-14)11-16-3/h5-6,14H,1-2,7-11H2,3-4H3/b6-5-.
What are the key properties of 4-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-1-(methoxymethyl)piperidine?
4-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-1-(methoxymethyl)piperidine has a molecular weight of 237.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-1-(methoxymethyl)piperidine is sourced from PubChem (CID 143576542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).