1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine

C20H27N5O4 — CID 5273130

IUPAC1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
SMILESCON=Cc1ccc(OCCC2CCN(c3nc(OC)nc(OC)n3)CC2)cc1
InChIInChI=1S/C20H27N5O4/c1-26-19-22-18(23-20(24-19)27-2)25-11-8-15(9-12-25)10-13-29-17-6-4-16(5-7-17)14-21-28-3/h4-7,14-15H,8-13H2,1-3H3
InChIKeyDKKCJMUBWCQHRO-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.55
Rot. Bonds9

About 1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine

1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine (PubChem CID 5273130) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine.

Molecular Properties

Compound Name1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
PubChem CID5273130
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
SMILESCON=Cc1ccc(OCCC2CCN(c3nc(OC)nc(OC)n3)CC2)cc1
InChIInChI=1S/C20H27N5O4/c1-26-19-22-18(23-20(24-19)27-2)25-11-8-15(9-12-25)10-13-29-17-6-4-16(5-7-17)14-21-28-3/h4-7,14-15H,8-13H2,1-3H3
InChIKeyDKKCJMUBWCQHRO-UHFFFAOYSA-N
XLogP2.55
TPSA91.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine
CID 11820838
N-methoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine
CID 87905257
(E)-N-ethoxy-1-[4-[2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]ethoxy]phenyl]methanimine
CID 11820832
(E)-N-ethoxy-1-[4-[2-(1-pyridazin-3-ylpiperidin-4-yl)ethoxy]phenyl]methanimine
CID 11820871
2-[4-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethyl]piperidin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 22024305
(E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
CID 11820910
(E)-N-ethoxy-1-[4-[2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]methanimine
CID 11820876
ethyl 2-[4-[2-[4-(ethoxyiminomethyl)phenoxy]ethyl]piperidin-1-yl]-1,3-thiazole-4-carboxylate
CID 5273126
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
(E)-N-methoxy-1-[4-[3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propoxy]phenyl]methanimine
CID 11820887
2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine
CID 171705210
2,4-dimethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine
CID 141014855

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine?
The IUPAC name of 1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine (CID 5273130) is 1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine.
What is the SMILES notation for 1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine?
The canonical SMILES for 1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine is CON=Cc1ccc(OCCC2CCN(c3nc(OC)nc(OC)n3)CC2)cc1.
What is the InChIKey of 1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine?
The InChIKey is DKKCJMUBWCQHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-26-19-22-18(23-20(24-19)27-2)25-11-8-15(9-12-25)10-13-29-17-6-4-16(5-7-17)14-21-28-3/h4-7,14-15H,8-13H2,1-3H3.
What are the key properties of 1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine?
1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine has a molecular weight of 401.47 g/mol, XLogP of 2.55, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine is sourced from PubChem (CID 5273130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).