[1-(4-amino-1,3,5-triazin-2-yl)-4-methoxypiperidin-4-yl]methanol

C10H17N5O2 — CID 170161711

IUPAC[1-(4-amino-1,3,5-triazin-2-yl)-4-methoxypiperidin-4-yl]methanol
SMILESCOC1(CO)CCN(c2ncnc(N)n2)CC1
InChIInChI=1S/C10H17N5O2/c1-17-10(6-16)2-4-15(5-3-10)9-13-7-12-8(11)14-9/h7,16H,2-6H2,1H3,(H2,11,12,13,14)
InChIKeyWFXGRXUARJZLPU-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.57
Rot. Bonds3

About [1-(4-amino-1,3,5-triazin-2-yl)-4-methoxypiperidin-4-yl]methanol

[1-(4-amino-1,3,5-triazin-2-yl)-4-methoxypiperidin-4-yl]methanol (PubChem CID 170161711) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is [1-(4-amino-1,3,5-triazin-2-yl)-4-methoxypiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-amino-1,3,5-triazin-2-yl)-4-methoxypiperidin-4-yl]methanol
PubChem CID170161711
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name[1-(4-amino-1,3,5-triazin-2-yl)-4-methoxypiperidin-4-yl]methanol
SMILESCOC1(CO)CCN(c2ncnc(N)n2)CC1
InChIInChI=1S/C10H17N5O2/c1-17-10(6-16)2-4-15(5-3-10)9-13-7-12-8(11)14-9/h7,16H,2-6H2,1H3,(H2,11,12,13,14)
InChIKeyWFXGRXUARJZLPU-UHFFFAOYSA-N
XLogP-0.57
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-1,3,5-triazin-2-yl)-4-methoxypiperidin-4-yl]methanol?
The IUPAC name of [1-(4-amino-1,3,5-triazin-2-yl)-4-methoxypiperidin-4-yl]methanol (CID 170161711) is [1-(4-amino-1,3,5-triazin-2-yl)-4-methoxypiperidin-4-yl]methanol.
What is the SMILES notation for [1-(4-amino-1,3,5-triazin-2-yl)-4-methoxypiperidin-4-yl]methanol?
The canonical SMILES for [1-(4-amino-1,3,5-triazin-2-yl)-4-methoxypiperidin-4-yl]methanol is COC1(CO)CCN(c2ncnc(N)n2)CC1.
What is the InChIKey of [1-(4-amino-1,3,5-triazin-2-yl)-4-methoxypiperidin-4-yl]methanol?
The InChIKey is WFXGRXUARJZLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-17-10(6-16)2-4-15(5-3-10)9-13-7-12-8(11)14-9/h7,16H,2-6H2,1H3,(H2,11,12,13,14).
What are the key properties of [1-(4-amino-1,3,5-triazin-2-yl)-4-methoxypiperidin-4-yl]methanol?
[1-(4-amino-1,3,5-triazin-2-yl)-4-methoxypiperidin-4-yl]methanol has a molecular weight of 239.28 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-1,3,5-triazin-2-yl)-4-methoxypiperidin-4-yl]methanol is sourced from PubChem (CID 170161711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).