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

C12H21N5O — CID 112746292

IUPAC1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol
SMILESCCCc1nc(N)nc(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C12H21N5O/c1-3-4-9-14-10(13)16-11(15-9)17-7-5-12(2,18)6-8-17/h18H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyIIKJYRKHCWADGA-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.76
Rot. Bonds3

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

1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol (PubChem CID 112746292) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol
PubChem CID112746292
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol
SMILESCCCc1nc(N)nc(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C12H21N5O/c1-3-4-9-14-10(13)16-11(15-9)17-7-5-12(2,18)6-8-17/h18H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyIIKJYRKHCWADGA-UHFFFAOYSA-N
XLogP0.76
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol (CID 112746292) is 1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol is CCCc1nc(N)nc(N2CCC(C)(O)CC2)n1.
What is the InChIKey of 1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol?
The InChIKey is IIKJYRKHCWADGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-4-9-14-10(13)16-11(15-9)17-7-5-12(2,18)6-8-17/h18H,3-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol?
1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol has a molecular weight of 251.33 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 112746292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).