[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate

C16H24N6O2 — CID 13377432

IUPAC[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(OC(C)=O)CC2)n1
InChIInChI=1S/C16H24N6O2/c1-4-8-17-14-19-15(18-9-5-2)21-16(20-14)22-10-6-13(7-11-22)24-12(3)23/h4-5,13H,1-2,6-11H2,3H3,(H2,17,18,19,20,21)
InChIKeyJBVKMPMIIBYNOI-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.60
Rot. Bonds8

About [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate

[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate (PubChem CID 13377432) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate.

Molecular Properties

Compound Name[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate
PubChem CID13377432
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(OC(C)=O)CC2)n1
InChIInChI=1S/C16H24N6O2/c1-4-8-17-14-19-15(18-9-5-2)21-16(20-14)22-10-6-13(7-11-22)24-12(3)23/h4-5,13H,1-2,6-11H2,3H3,(H2,17,18,19,20,21)
InChIKeyJBVKMPMIIBYNOI-UHFFFAOYSA-N
XLogP1.60
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

Ethyl 4-[[4-ethoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate
CID 3386985
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] propanoate
CID 13377433
[1-[4,6-Bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] 3-methoxypropanoate
CID 13377436
[1-[4,6-Bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] 2,2-dimethylpropanoate
CID 13377439
[1-[4,6-Bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] 2-methoxyacetate
CID 13377443
[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
6-(3-ethoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 56627462

Frequently Asked Questions

What is the IUPAC name of [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate?
The IUPAC name of [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate (CID 13377432) is [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate.
What is the SMILES notation for [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate?
The canonical SMILES for [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate is C=CCNc1nc(NCC=C)nc(N2CCC(OC(C)=O)CC2)n1.
What is the InChIKey of [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate?
The InChIKey is JBVKMPMIIBYNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-4-8-17-14-19-15(18-9-5-2)21-16(20-14)22-10-6-13(7-11-22)24-12(3)23/h4-5,13H,1-2,6-11H2,3H3,(H2,17,18,19,20,21).
What are the key properties of [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate?
[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate has a molecular weight of 332.41 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] acetate is sourced from PubChem (CID 13377432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).