1-[[4-(3-hydroxypiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]methyl]piperidin-3-ol

C18H30N4O2 — CID 71849241

IUPAC1-[[4-(3-hydroxypiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]methyl]piperidin-3-ol
SMILESCC(C)c1cc(N2CCCC(O)C2)nc(CN2CCCC(O)C2)n1
InChIInChI=1S/C18H30N4O2/c1-13(2)16-9-18(22-8-4-6-15(24)11-22)20-17(19-16)12-21-7-3-5-14(23)10-21/h9,13-15,23-24H,3-8,10-12H2,1-2H3
InChIKeyPRASUHBJPDNQFA-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.52
Rot. Bonds4

About 1-[[4-(3-hydroxypiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]methyl]piperidin-3-ol

1-[[4-(3-hydroxypiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]methyl]piperidin-3-ol (PubChem CID 71849241) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[[4-(3-hydroxypiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[4-(3-hydroxypiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]methyl]piperidin-3-ol
PubChem CID71849241
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-[[4-(3-hydroxypiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]methyl]piperidin-3-ol
SMILESCC(C)c1cc(N2CCCC(O)C2)nc(CN2CCCC(O)C2)n1
InChIInChI=1S/C18H30N4O2/c1-13(2)16-9-18(22-8-4-6-15(24)11-22)20-17(19-16)12-21-7-3-5-14(23)10-21/h9,13-15,23-24H,3-8,10-12H2,1-2H3
InChIKeyPRASUHBJPDNQFA-UHFFFAOYSA-N
XLogP1.52
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-hydroxypiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[4-(3-hydroxypiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]methyl]piperidin-3-ol (CID 71849241) is 1-[[4-(3-hydroxypiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[4-(3-hydroxypiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[4-(3-hydroxypiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]methyl]piperidin-3-ol is CC(C)c1cc(N2CCCC(O)C2)nc(CN2CCCC(O)C2)n1.
What is the InChIKey of 1-[[4-(3-hydroxypiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]methyl]piperidin-3-ol?
The InChIKey is PRASUHBJPDNQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13(2)16-9-18(22-8-4-6-15(24)11-22)20-17(19-16)12-21-7-3-5-14(23)10-21/h9,13-15,23-24H,3-8,10-12H2,1-2H3.
What are the key properties of 1-[[4-(3-hydroxypiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]methyl]piperidin-3-ol?
1-[[4-(3-hydroxypiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]methyl]piperidin-3-ol has a molecular weight of 334.46 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-hydroxypiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 71849241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).