1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol

C12H21N5O2 — CID 81108978

IUPAC1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol
SMILESCCCOc1nc(N)nc(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C12H21N5O2/c1-3-8-19-11-15-9(13)14-10(16-11)17-6-4-12(2,18)5-7-17/h18H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyHVDBIDRGKIJHEF-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.59
Rot. Bonds4

About 1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol

1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol (PubChem CID 81108978) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol
PubChem CID81108978
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol
SMILESCCCOc1nc(N)nc(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C12H21N5O2/c1-3-8-19-11-15-9(13)14-10(16-11)17-6-4-12(2,18)5-7-17/h18H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyHVDBIDRGKIJHEF-UHFFFAOYSA-N
XLogP0.59
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol (CID 81108978) is 1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol is CCCOc1nc(N)nc(N2CCC(C)(O)CC2)n1.
What is the InChIKey of 1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol?
The InChIKey is HVDBIDRGKIJHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-3-8-19-11-15-9(13)14-10(16-11)17-6-4-12(2,18)5-7-17/h18H,3-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol?
1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol has a molecular weight of 267.33 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81108978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).