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

C19H30N6O2 — CID 13377439

IUPAC[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] 2,2-dimethylpropanoate
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(OC(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C19H30N6O2/c1-6-10-20-16-22-17(21-11-7-2)24-18(23-16)25-12-8-14(9-13-25)27-15(26)19(3,4)5/h6-7,14H,1-2,8-13H2,3-5H3,(H2,20,21,22,23,24)
InChIKeySZFZKNGAKSRLAV-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.63
Rot. Bonds8

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

[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] 2,2-dimethylpropanoate (PubChem CID 13377439) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] 2,2-dimethylpropanoate
PubChem CID13377439
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] 2,2-dimethylpropanoate
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(OC(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C19H30N6O2/c1-6-10-20-16-22-17(21-11-7-2)24-18(23-16)25-12-8-14(9-13-25)27-15(26)19(3,4)5/h6-7,14H,1-2,8-13H2,3-5H3,(H2,20,21,22,23,24)
InChIKeySZFZKNGAKSRLAV-UHFFFAOYSA-N
XLogP2.63
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.63
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] 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-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

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] 2,2-dimethylpropanoate?
The IUPAC name of [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] 2,2-dimethylpropanoate (CID 13377439) is [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] 2,2-dimethylpropanoate is C=CCNc1nc(NCC=C)nc(N2CCC(OC(=O)C(C)(C)C)CC2)n1.
What is the InChIKey of [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] 2,2-dimethylpropanoate?
The InChIKey is SZFZKNGAKSRLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-6-10-20-16-22-17(21-11-7-2)24-18(23-16)25-12-8-14(9-13-25)27-15(26)19(3,4)5/h6-7,14H,1-2,8-13H2,3-5H3,(H2,20,21,22,23,24).
What are the key properties of [1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] 2,2-dimethylpropanoate?
[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl] 2,2-dimethylpropanoate has a molecular weight of 374.49 g/mol, XLogP of 2.63, 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] 2,2-dimethylpropanoate is sourced from PubChem (CID 13377439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).