1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine

C12H21N5O2 — CID 55259270

IUPAC1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine
SMILESCOc1nc(OC)nc(N2CCC(C(C)N)CC2)n1
InChIInChI=1S/C12H21N5O2/c1-8(13)9-4-6-17(7-5-9)10-14-11(18-2)16-12(15-10)19-3/h8-9H,4-7,13H2,1-3H3
InChIKeyNIANOOHGRHKEIV-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.45
Rot. Bonds4

About 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine

1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine (PubChem CID 55259270) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine
PubChem CID55259270
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine
SMILESCOc1nc(OC)nc(N2CCC(C(C)N)CC2)n1
InChIInChI=1S/C12H21N5O2/c1-8(13)9-4-6-17(7-5-9)10-14-11(18-2)16-12(15-10)19-3/h8-9H,4-7,13H2,1-3H3
InChIKeyNIANOOHGRHKEIV-UHFFFAOYSA-N
XLogP0.45
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine (CID 55259270) is 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine is COc1nc(OC)nc(N2CCC(C(C)N)CC2)n1.
What is the InChIKey of 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine?
The InChIKey is NIANOOHGRHKEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-8(13)9-4-6-17(7-5-9)10-14-11(18-2)16-12(15-10)19-3/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine?
1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine has a molecular weight of 267.33 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 55259270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).