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

C20H33N5O3 — CID 102133615

IUPAC[1-[4-cyclopentyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(OC3CCCC3)nc(N3CCC(CO)CC3)n2)CC1
InChIInChI=1S/C20H33N5O3/c26-13-15-5-9-24(10-6-15)18-21-19(25-11-7-16(14-27)8-12-25)23-20(22-18)28-17-3-1-2-4-17/h15-17,26-27H,1-14H2
InChIKeyFPBFRYJQBSJPOD-UHFFFAOYSA-N
MW391.52 g/mol
LogP1.61
Rot. Bonds6

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

[1-[4-cyclopentyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (PubChem CID 102133615) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is [1-[4-cyclopentyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-cyclopentyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
PubChem CID102133615
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Name[1-[4-cyclopentyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(OC3CCCC3)nc(N3CCC(CO)CC3)n2)CC1
InChIInChI=1S/C20H33N5O3/c26-13-15-5-9-24(10-6-15)18-21-19(25-11-7-16(14-27)8-12-25)23-20(22-18)28-17-3-1-2-4-17/h15-17,26-27H,1-14H2
InChIKeyFPBFRYJQBSJPOD-UHFFFAOYSA-N
XLogP1.61
TPSA94.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[1-[4,6-Bis[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 71763661
[1-[4-Chloro-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 71763662
[1-[4-Ethoxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 71763884
[1-[4-[4-(Hydroxymethyl)piperidin-1-yl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 71763885
[1-[4-Heptoxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 71763886
[1-(4,6-Diethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
CID 71764079
[1-(4,6-Diheptoxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
CID 71764080
[1-[4,6-Di(propan-2-yloxy)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 102133614
[1-(4,6-Dicyclopentyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
CID 102133616
[1-[4-[4-(Hydroxymethyl)piperidin-1-yl]-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 102133617
[1-[4-Cyclohexyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 102133618
[1-(4,6-Dicyclohexyloxy-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
CID 102133620

Frequently Asked Questions

What is the IUPAC name of [1-[4-cyclopentyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-cyclopentyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (CID 102133615) is [1-[4-cyclopentyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-cyclopentyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-cyclopentyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2nc(OC3CCCC3)nc(N3CCC(CO)CC3)n2)CC1.
What is the InChIKey of [1-[4-cyclopentyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is FPBFRYJQBSJPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3/c26-13-15-5-9-24(10-6-15)18-21-19(25-11-7-16(14-27)8-12-25)23-20(22-18)28-17-3-1-2-4-17/h15-17,26-27H,1-14H2.
What are the key properties of [1-[4-cyclopentyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
[1-[4-cyclopentyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 391.52 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-cyclopentyloxy-6-[4-(hydroxymethyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 102133615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).