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

C17H26N6O2 — CID 13377433

IUPAC[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] propanoate
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(OC(=O)CC)CC2)n1
InChIInChI=1S/C17H26N6O2/c1-4-9-18-15-20-16(19-10-5-2)22-17(21-15)23-11-7-13(8-12-23)25-14(24)6-3/h4-5,13H,1-2,6-12H2,3H3,(H2,18,19,20,21,22)
InChIKeyDJVBXUWZCKHDCS-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.99
Rot. Bonds9

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

[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] propanoate (PubChem CID 13377433) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] propanoate.

Molecular Properties

Compound Name[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] propanoate
PubChem CID13377433
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] propanoate
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(OC(=O)CC)CC2)n1
InChIInChI=1S/C17H26N6O2/c1-4-9-18-15-20-16(19-10-5-2)22-17(21-15)23-11-7-13(8-12-23)25-14(24)6-3/h4-5,13H,1-2,6-12H2,3H3,(H2,18,19,20,21,22)
InChIKeyDJVBXUWZCKHDCS-UHFFFAOYSA-N
XLogP1.99
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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-[4,6-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
Ethyl 3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80795492

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] propanoate?
The IUPAC name of [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] propanoate (CID 13377433) is [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] propanoate.
What is the SMILES notation for [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] propanoate?
The canonical SMILES for [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] propanoate is C=CCNc1nc(NCC=C)nc(N2CCC(OC(=O)CC)CC2)n1.
What is the InChIKey of [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] propanoate?
The InChIKey is DJVBXUWZCKHDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-4-9-18-15-20-16(19-10-5-2)22-17(21-15)23-11-7-13(8-12-23)25-14(24)6-3/h4-5,13H,1-2,6-12H2,3H3,(H2,18,19,20,21,22).
What are the key properties of [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] propanoate?
[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] propanoate has a molecular weight of 346.44 g/mol, XLogP of 1.99, 9 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] propanoate is sourced from PubChem (CID 13377433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).