N-ethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine

C13H21N5O — CID 80867786

IUPACN-ethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NCC)nc(N2CCCCC2)n1
InChIInChI=1S/C13H21N5O/c1-3-10-19-13-16-11(14-4-2)15-12(17-13)18-8-6-5-7-9-18/h3H,1,4-10H2,2H3,(H,14,15,16,17)
InChIKeyUMERJGKULPWTMO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.86
Rot. Bonds6

About N-ethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine

N-ethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine (PubChem CID 80867786) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-ethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine
PubChem CID80867786
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-ethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NCC)nc(N2CCCCC2)n1
InChIInChI=1S/C13H21N5O/c1-3-10-19-13-16-11(14-4-2)15-12(17-13)18-8-6-5-7-9-18/h3H,1,4-10H2,2H3,(H,14,15,16,17)
InChIKeyUMERJGKULPWTMO-UHFFFAOYSA-N
XLogP1.86
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-ethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine (CID 80867786) is N-ethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine is C=CCOc1nc(NCC)nc(N2CCCCC2)n1.
What is the InChIKey of N-ethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The InChIKey is UMERJGKULPWTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-10-19-13-16-11(14-4-2)15-12(17-13)18-8-6-5-7-9-18/h3H,1,4-10H2,2H3,(H,14,15,16,17).
What are the key properties of N-ethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
N-ethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80867786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).