4-[(dimethylamino)methyl]-1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-ol

C14H24N4O — CID 138053338

IUPAC4-[(dimethylamino)methyl]-1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-ol
SMILESCc1ncnc(N2CCC(O)(CN(C)C)CC2)c1C
InChIInChI=1S/C14H24N4O/c1-11-12(2)15-10-16-13(11)18-7-5-14(19,6-8-18)9-17(3)4/h10,19H,5-9H2,1-4H3
InChIKeyIJXBJEFTGYBLQG-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.99
Rot. Bonds3

About 4-[(dimethylamino)methyl]-1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-ol

4-[(dimethylamino)methyl]-1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-ol (PubChem CID 138053338) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-ol
PubChem CID138053338
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[(dimethylamino)methyl]-1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-ol
SMILESCc1ncnc(N2CCC(O)(CN(C)C)CC2)c1C
InChIInChI=1S/C14H24N4O/c1-11-12(2)15-10-16-13(11)18-7-5-14(19,6-8-18)9-17(3)4/h10,19H,5-9H2,1-4H3
InChIKeyIJXBJEFTGYBLQG-UHFFFAOYSA-N
XLogP0.99
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of 4-[(dimethylamino)methyl]-1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-ol (CID 138053338) is 4-[(dimethylamino)methyl]-1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for 4-[(dimethylamino)methyl]-1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-ol is Cc1ncnc(N2CCC(O)(CN(C)C)CC2)c1C.
What is the InChIKey of 4-[(dimethylamino)methyl]-1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-ol?
The InChIKey is IJXBJEFTGYBLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11-12(2)15-10-16-13(11)18-7-5-14(19,6-8-18)9-17(3)4/h10,19H,5-9H2,1-4H3.
What are the key properties of 4-[(dimethylamino)methyl]-1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-ol?
4-[(dimethylamino)methyl]-1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-ol has a molecular weight of 264.37 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 138053338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).