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

C21H29N5O4 — CID 11820838

IUPAC(E)-1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine
SMILESCCO/N=C/c1ccc(OCCC2CCN(c3nc(OC)nc(OC)n3)CC2)cc1
InChIInChI=1S/C21H29N5O4/c1-4-30-22-15-17-5-7-18(8-6-17)29-14-11-16-9-12-26(13-10-16)19-23-20(27-2)25-21(24-19)28-3/h5-8,15-16H,4,9-14H2,1-3H3/b22-15+
InChIKeyFVZCBFBGCQOCLY-PXLXIMEGSA-N
MW415.49 g/mol
LogP2.94
Rot. Bonds10

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

(E)-1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine (PubChem CID 11820838) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is (E)-1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine.

Molecular Properties

Compound Name(E)-1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine
PubChem CID11820838
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC Name(E)-1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine
SMILESCCO/N=C/c1ccc(OCCC2CCN(c3nc(OC)nc(OC)n3)CC2)cc1
InChIInChI=1S/C21H29N5O4/c1-4-30-22-15-17-5-7-18(8-6-17)29-14-11-16-9-12-26(13-10-16)19-23-20(27-2)25-21(24-19)28-3/h5-8,15-16H,4,9-14H2,1-3H3/b22-15+
InChIKeyFVZCBFBGCQOCLY-PXLXIMEGSA-N
XLogP2.94
TPSA91.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.94
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

1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
CID 5273130
(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)-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-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine
CID 87905257
1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanol
CID 103703058
N-[[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methyl]propan-1-amine
CID 62860368
(E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
CID 11820910
anisole;1-ethyl-4-(2-phenoxyethyl)piperidine
CID 174661948
2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine
CID 171705210

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine?
The IUPAC name of (E)-1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine (CID 11820838) is (E)-1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine.
What is the SMILES notation for (E)-1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine?
The canonical SMILES for (E)-1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine is CCO/N=C/c1ccc(OCCC2CCN(c3nc(OC)nc(OC)n3)CC2)cc1.
What is the InChIKey of (E)-1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine?
The InChIKey is FVZCBFBGCQOCLY-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-4-30-22-15-17-5-7-18(8-6-17)29-14-11-16-9-12-26(13-10-16)19-23-20(27-2)25-21(24-19)28-3/h5-8,15-16H,4,9-14H2,1-3H3/b22-15+.
What are the key properties of (E)-1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine?
(E)-1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine has a molecular weight of 415.49 g/mol, XLogP of 2.94, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine is sourced from PubChem (CID 11820838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).