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

C18H31N5O4 — CID 102133617

IUPAC[1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESCOCCOc1nc(N2CCC(CO)CC2)nc(N2CCC(CO)CC2)n1
InChIInChI=1S/C18H31N5O4/c1-26-10-11-27-18-20-16(22-6-2-14(12-24)3-7-22)19-17(21-18)23-8-4-15(13-25)5-9-23/h14-15,24-25H,2-13H2,1H3
InChIKeyJWJCCPHWKSYDGO-UHFFFAOYSA-N
MW381.48 g/mol
LogP0.31
Rot. Bonds8

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

[1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (PubChem CID 102133617) has the molecular formula C18H31N5O4 and a molecular weight of 381.48 g/mol. Its IUPAC name is [1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
PubChem CID102133617
Molecular FormulaC18H31N5O4
Molecular Weight381.48 g/mol
Exact Mass381.24
IUPAC Name[1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESCOCCOc1nc(N2CCC(CO)CC2)nc(N2CCC(CO)CC2)n1
InChIInChI=1S/C18H31N5O4/c1-26-10-11-27-18-20-16(22-6-2-14(12-24)3-7-22)19-17(21-18)23-8-4-15(13-25)5-9-23/h14-15,24-25H,2-13H2,1H3
InChIKeyJWJCCPHWKSYDGO-UHFFFAOYSA-N
XLogP0.31
TPSA104.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (CID 102133617) is [1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is COCCOc1nc(N2CCC(CO)CC2)nc(N2CCC(CO)CC2)n1.
What is the InChIKey of [1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is JWJCCPHWKSYDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O4/c1-26-10-11-27-18-20-16(22-6-2-14(12-24)3-7-22)19-17(21-18)23-8-4-15(13-25)5-9-23/h14-15,24-25H,2-13H2,1H3.
What are the key properties of [1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
[1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 381.48 g/mol, XLogP of 0.31, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[4-(hydroxymethyl)piperidin-1-yl]-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 102133617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).