3-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde

C16H18N4O3 — CID 782364

IUPAC3-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde
SMILESCOc1nc(Oc2cccc(C=O)c2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H18N4O3/c1-22-15-17-14(20-8-3-2-4-9-20)18-16(19-15)23-13-7-5-6-12(10-13)11-21/h5-7,10-11H,2-4,8-9H2,1H3
InChIKeyQQJCRVUWXXMFPP-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.48
Rot. Bonds5

About 3-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde

3-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde (PubChem CID 782364) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde.

Molecular Properties

Compound Name3-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde
PubChem CID782364
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name3-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde
SMILESCOc1nc(Oc2cccc(C=O)c2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H18N4O3/c1-22-15-17-14(20-8-3-2-4-9-20)18-16(19-15)23-13-7-5-6-12(10-13)11-21/h5-7,10-11H,2-4,8-9H2,1H3
InChIKeyQQJCRVUWXXMFPP-UHFFFAOYSA-N
XLogP2.48
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-{[4,6-Di(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}benzaldehyde
CID 1309556
Cambridge id 6956712
CID 762184
Cambridge id 6993296
CID 762185
4-{[4,6-Di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}-3-methoxybenzaldehyde
CID 1022141
Methyl 4-{[4,6-bis(piperidin-1-YL)-1,3,5-triazin-2-YL]oxy}benzoate
CID 1307625
3,3',3''-[1,3,5-Triazine-2,4,6-triyltris(oxy)]tribenzaldehyde
CID 14044295
Methyl 3-[(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)oxy]benzoate
CID 1293245
1-[3-[[4-Chloro-6-(diethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]ethanone
CID 13109948
4-[[4,6-Bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzaldehyde
CID 802810
4-{6-[(Tert-butyl)amino]-4-(ethylamino)-1,3,5-triazin-2-yloxy}benzaldehyde
CID 887081
4-[6-(Dimethylamino)-4-methoxy-1,3,5-triazin-2-yloxy]benzaldehyde
CID 892843
4-{[4,6-Di(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}-3-methoxybenzaldehyde
CID 1006562

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde?
The IUPAC name of 3-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde (CID 782364) is 3-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde.
What is the SMILES notation for 3-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde?
The canonical SMILES for 3-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde is COc1nc(Oc2cccc(C=O)c2)nc(N2CCCCC2)n1.
What is the InChIKey of 3-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde?
The InChIKey is QQJCRVUWXXMFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-22-15-17-14(20-8-3-2-4-9-20)18-16(19-15)23-13-7-5-6-12(10-13)11-21/h5-7,10-11H,2-4,8-9H2,1H3.
What are the key properties of 3-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde?
3-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde has a molecular weight of 314.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]benzaldehyde is sourced from PubChem (CID 782364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).