[1-[4,6-bis[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol

C21H36N6O3 — CID 71763661

IUPAC[1-[4,6-bis[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(N3CCC(CO)CC3)nc(N3CCC(CO)CC3)n2)CC1
InChIInChI=1S/C21H36N6O3/c28-13-16-1-7-25(8-2-16)19-22-20(26-9-3-17(14-29)4-10-26)24-21(23-19)27-11-5-18(15-30)6-12-27/h16-18,28-30H,1-15H2
InChIKeyBHSSOBMNAHPJIJ-UHFFFAOYSA-N
MW420.56 g/mol
LogP0.50
Rot. Bonds6

About [1-[4,6-bis[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol

[1-[4,6-bis[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (PubChem CID 71763661) has the molecular formula C21H36N6O3 and a molecular weight of 420.56 g/mol. Its IUPAC name is [1-[4,6-bis[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4,6-bis[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
PubChem CID71763661
Molecular FormulaC21H36N6O3
Molecular Weight420.56 g/mol
Exact Mass420.28
IUPAC Name[1-[4,6-bis[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(N3CCC(CO)CC3)nc(N3CCC(CO)CC3)n2)CC1
InChIInChI=1S/C21H36N6O3/c28-13-16-1-7-25(8-2-16)19-22-20(26-9-3-17(14-29)4-10-26)24-21(23-19)27-11-5-18(15-30)6-12-27/h16-18,28-30H,1-15H2
InChIKeyBHSSOBMNAHPJIJ-UHFFFAOYSA-N
XLogP0.50
TPSA109.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-[4,6-bis[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4,6-bis[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (CID 71763661) is [1-[4,6-bis[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4,6-bis[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4,6-bis[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2nc(N3CCC(CO)CC3)nc(N3CCC(CO)CC3)n2)CC1.
What is the InChIKey of [1-[4,6-bis[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is BHSSOBMNAHPJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6O3/c28-13-16-1-7-25(8-2-16)19-22-20(26-9-3-17(14-29)4-10-26)24-21(23-19)27-11-5-18(15-30)6-12-27/h16-18,28-30H,1-15H2.
What are the key properties of [1-[4,6-bis[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
[1-[4,6-bis[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 420.56 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4,6-bis[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 71763661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).