4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol

C16H25N3O2 — CID 110114983

IUPAC4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol
SMILESCc1nccc(C2CCCN(CC3(O)CCOCC3)C2)n1
InChIInChI=1S/C16H25N3O2/c1-13-17-7-4-15(18-13)14-3-2-8-19(11-14)12-16(20)5-9-21-10-6-16/h4,7,14,20H,2-3,5-6,8-12H2,1H3
InChIKeyASDXKTGUXIWXOM-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.51
Rot. Bonds3

About 4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol

4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol (PubChem CID 110114983) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol
PubChem CID110114983
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol
SMILESCc1nccc(C2CCCN(CC3(O)CCOCC3)C2)n1
InChIInChI=1S/C16H25N3O2/c1-13-17-7-4-15(18-13)14-3-2-8-19(11-14)12-16(20)5-9-21-10-6-16/h4,7,14,20H,2-3,5-6,8-12H2,1H3
InChIKeyASDXKTGUXIWXOM-UHFFFAOYSA-N
XLogP1.51
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol (CID 110114983) is 4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol is Cc1nccc(C2CCCN(CC3(O)CCOCC3)C2)n1.
What is the InChIKey of 4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol?
The InChIKey is ASDXKTGUXIWXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-17-7-4-15(18-13)14-3-2-8-19(11-14)12-16(20)5-9-21-10-6-16/h4,7,14,20H,2-3,5-6,8-12H2,1H3.
What are the key properties of 4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol?
4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol has a molecular weight of 291.39 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol is sourced from PubChem (CID 110114983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).