1-methyl-4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]piperidin-4-ol

C17H25N5O — CID 56916759

IUPAC1-methyl-4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]piperidin-4-ol
SMILESCC(C)c1nccc(-c2nccn2CC2(O)CCN(C)CC2)n1
InChIInChI=1S/C17H25N5O/c1-13(2)15-18-7-4-14(20-15)16-19-8-11-22(16)12-17(23)5-9-21(3)10-6-17/h4,7-8,11,13,23H,5-6,9-10,12H2,1-3H3
InChIKeyNBWFZQIWCGTTKF-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.92
Rot. Bonds4

About 1-methyl-4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]piperidin-4-ol

1-methyl-4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]piperidin-4-ol (PubChem CID 56916759) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-methyl-4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]piperidin-4-ol
PubChem CID56916759
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-methyl-4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]piperidin-4-ol
SMILESCC(C)c1nccc(-c2nccn2CC2(O)CCN(C)CC2)n1
InChIInChI=1S/C17H25N5O/c1-13(2)15-18-7-4-14(20-15)16-19-8-11-22(16)12-17(23)5-9-21(3)10-6-17/h4,7-8,11,13,23H,5-6,9-10,12H2,1-3H3
InChIKeyNBWFZQIWCGTTKF-UHFFFAOYSA-N
XLogP1.92
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-methyl-4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]piperidin-4-ol (CID 56916759) is 1-methyl-4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-methyl-4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]piperidin-4-ol is CC(C)c1nccc(-c2nccn2CC2(O)CCN(C)CC2)n1.
What is the InChIKey of 1-methyl-4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]piperidin-4-ol?
The InChIKey is NBWFZQIWCGTTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13(2)15-18-7-4-14(20-15)16-19-8-11-22(16)12-17(23)5-9-21(3)10-6-17/h4,7-8,11,13,23H,5-6,9-10,12H2,1-3H3.
What are the key properties of 1-methyl-4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]piperidin-4-ol?
1-methyl-4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]piperidin-4-ol has a molecular weight of 315.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 56916759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).