6-(3-ethoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

C16H26N6O — CID 56627462

IUPAC6-(3-ethoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CCCC(OCC)C2)n1
InChIInChI=1S/C16H26N6O/c1-4-9-17-14-19-15(18-10-5-2)21-16(20-14)22-11-7-8-13(12-22)23-6-3/h4-5,13H,1-2,6-12H2,3H3,(H2,17,18,19,20,21)
InChIKeyLXRZICNAQWWWHB-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.07
Rot. Bonds9

About 6-(3-ethoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

6-(3-ethoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 56627462) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is 6-(3-ethoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-ethoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID56627462
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name6-(3-ethoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CCCC(OCC)C2)n1
InChIInChI=1S/C16H26N6O/c1-4-9-17-14-19-15(18-10-5-2)21-16(20-14)22-11-7-8-13(12-22)23-6-3/h4-5,13H,1-2,6-12H2,3H3,(H2,17,18,19,20,21)
InChIKeyLXRZICNAQWWWHB-UHFFFAOYSA-N
XLogP2.07
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(3-ethoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-allyl-N'-ethyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 2295099
N-Allyl-6-methoxy-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 644524
1,3,5-Triazine, 2-allylamino-4-tert-butylamino-6-(4-morpholyl)-
CID 623998
1,3,5-Triazine, 2-allylamino-4-cyclohexyloxy-6-(4-morpholyl)-
CID 535413
6-morpholin-4-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 7589342
6-(4-ethoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 13271716
[1-[4,6-Bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate
CID 13377432
[1-[4-(Prop-2-enylamino)-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate
CID 15729050
2-N,4-N-bis(prop-2-enyl)-6-(4-propoxypiperidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 56606497
6-(4-butoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 56616677
6-(4-methoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 56621604
6-(4-prop-2-enoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 56625605

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-ethoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 56627462) is 6-(3-ethoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-ethoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-ethoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCC=C)nc(N2CCCC(OCC)C2)n1.
What is the InChIKey of 6-(3-ethoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LXRZICNAQWWWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-4-9-17-14-19-15(18-10-5-2)21-16(20-14)22-11-7-8-13(12-22)23-6-3/h4-5,13H,1-2,6-12H2,3H3,(H2,17,18,19,20,21).
What are the key properties of 6-(3-ethoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-(3-ethoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 318.43 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56627462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).