3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]propan-1-ol

C14H23N3O — CID 50951242

IUPAC3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]propan-1-ol
SMILESCc1cc(C)nc(N2CCCC(CCCO)C2)n1
InChIInChI=1S/C14H23N3O/c1-11-9-12(2)16-14(15-11)17-7-3-5-13(10-17)6-4-8-18/h9,13,18H,3-8,10H2,1-2H3
InChIKeyUQPVGXMMVHASJV-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.08
Rot. Bonds4

About 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]propan-1-ol

3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]propan-1-ol (PubChem CID 50951242) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]propan-1-ol
PubChem CID50951242
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]propan-1-ol
SMILESCc1cc(C)nc(N2CCCC(CCCO)C2)n1
InChIInChI=1S/C14H23N3O/c1-11-9-12(2)16-14(15-11)17-7-3-5-13(10-17)6-4-8-18/h9,13,18H,3-8,10H2,1-2H3
InChIKeyUQPVGXMMVHASJV-UHFFFAOYSA-N
XLogP2.08
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]propan-1-ol (CID 50951242) is 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]propan-1-ol is Cc1cc(C)nc(N2CCCC(CCCO)C2)n1.
What is the InChIKey of 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]propan-1-ol?
The InChIKey is UQPVGXMMVHASJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-9-12(2)16-14(15-11)17-7-3-5-13(10-17)6-4-8-18/h9,13,18H,3-8,10H2,1-2H3.
What are the key properties of 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]propan-1-ol?
3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]propan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 50951242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).