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

C14H22N6O — CID 13377445

IUPAC1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-ol
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(O)CC2)n1
InChIInChI=1S/C14H22N6O/c1-3-7-15-12-17-13(16-8-4-2)19-14(18-12)20-9-5-11(21)6-10-20/h3-4,11,21H,1-2,5-10H2,(H2,15,16,17,18,19)
InChIKeyUEWNJLKNORMPBG-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.03
Rot. Bonds7

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

1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-ol (PubChem CID 13377445) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-ol
PubChem CID13377445
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-ol
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(O)CC2)n1
InChIInChI=1S/C14H22N6O/c1-3-7-15-12-17-13(16-8-4-2)19-14(18-12)20-9-5-11(21)6-10-20/h3-4,11,21H,1-2,5-10H2,(H2,15,16,17,18,19)
InChIKeyUEWNJLKNORMPBG-UHFFFAOYSA-N
XLogP1.03
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-ol (CID 13377445) is 1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-ol is C=CCNc1nc(NCC=C)nc(N2CCC(O)CC2)n1.
What is the InChIKey of 1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-ol?
The InChIKey is UEWNJLKNORMPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-3-7-15-12-17-13(16-8-4-2)19-14(18-12)20-9-5-11(21)6-10-20/h3-4,11,21H,1-2,5-10H2,(H2,15,16,17,18,19).
What are the key properties of 1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-ol?
1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-ol has a molecular weight of 290.37 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 7 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-ol is sourced from PubChem (CID 13377445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).