N-(3-methoxy-1-piperidin-4-ylbuta-1,3-dienyl)methanimine

C11H18N2O — CID 123549216

IUPACN-(3-methoxy-1-piperidin-4-ylbuta-1,3-dienyl)methanimine
SMILESC=NC(=CC(=C)OC)C1CCNCC1
InChIInChI=1S/C11H18N2O/c1-9(14-3)8-11(12-2)10-4-6-13-7-5-10/h8,10,13H,1-2,4-7H2,3H3
InChIKeySZCYCLXDZWEYKX-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.73
Rot. Bonds4

About N-(3-methoxy-1-piperidin-4-ylbuta-1,3-dienyl)methanimine

N-(3-methoxy-1-piperidin-4-ylbuta-1,3-dienyl)methanimine (PubChem CID 123549216) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(3-methoxy-1-piperidin-4-ylbuta-1,3-dienyl)methanimine.

Molecular Properties

Compound NameN-(3-methoxy-1-piperidin-4-ylbuta-1,3-dienyl)methanimine
PubChem CID123549216
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(3-methoxy-1-piperidin-4-ylbuta-1,3-dienyl)methanimine
SMILESC=NC(=CC(=C)OC)C1CCNCC1
InChIInChI=1S/C11H18N2O/c1-9(14-3)8-11(12-2)10-4-6-13-7-5-10/h8,10,13H,1-2,4-7H2,3H3
InChIKeySZCYCLXDZWEYKX-UHFFFAOYSA-N
XLogP1.73
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-Methoxy-6-piperidin-4-yl-1,2-dihydropyridine
CID 118610408
2-methyl-4-(piperidin-4-ylmethyl)-6H-1,3-oxazine
CID 123507683
7-Methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine
CID 144980700
(3E)-3-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine
CID 167157904
(3Z)-2-methoxy-4-piperidin-4-ylbuta-1,3-diene-1,1,4-triamine
CID 167157907
(2E,4Z)-4-methoxy-6-methyl-5-(4-methylpiperidin-1-yl)hepta-2,4-dien-2-amine
CID 145630958

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1-piperidin-4-ylbuta-1,3-dienyl)methanimine?
The IUPAC name of N-(3-methoxy-1-piperidin-4-ylbuta-1,3-dienyl)methanimine (CID 123549216) is N-(3-methoxy-1-piperidin-4-ylbuta-1,3-dienyl)methanimine.
What is the SMILES notation for N-(3-methoxy-1-piperidin-4-ylbuta-1,3-dienyl)methanimine?
The canonical SMILES for N-(3-methoxy-1-piperidin-4-ylbuta-1,3-dienyl)methanimine is C=NC(=CC(=C)OC)C1CCNCC1.
What is the InChIKey of N-(3-methoxy-1-piperidin-4-ylbuta-1,3-dienyl)methanimine?
The InChIKey is SZCYCLXDZWEYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(14-3)8-11(12-2)10-4-6-13-7-5-10/h8,10,13H,1-2,4-7H2,3H3.
What are the key properties of N-(3-methoxy-1-piperidin-4-ylbuta-1,3-dienyl)methanimine?
N-(3-methoxy-1-piperidin-4-ylbuta-1,3-dienyl)methanimine has a molecular weight of 194.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1-piperidin-4-ylbuta-1,3-dienyl)methanimine is sourced from PubChem (CID 123549216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).