1-(2,6-dimethoxypyrimidin-4-yl)-4-phenylpiperidin-4-ol

C17H21N3O3 — CID 11438445

IUPAC1-(2,6-dimethoxypyrimidin-4-yl)-4-phenylpiperidin-4-ol
SMILESCOc1cc(N2CCC(O)(c3ccccc3)CC2)nc(OC)n1
InChIInChI=1S/C17H21N3O3/c1-22-15-12-14(18-16(19-15)23-2)20-10-8-17(21,9-11-20)13-6-4-3-5-7-13/h3-7,12,21H,8-11H2,1-2H3
InChIKeyJGLYOOIVUYESFX-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.98
Rot. Bonds4

About 1-(2,6-dimethoxypyrimidin-4-yl)-4-phenylpiperidin-4-ol

1-(2,6-dimethoxypyrimidin-4-yl)-4-phenylpiperidin-4-ol (PubChem CID 11438445) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(2,6-dimethoxypyrimidin-4-yl)-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2,6-dimethoxypyrimidin-4-yl)-4-phenylpiperidin-4-ol
PubChem CID11438445
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-(2,6-dimethoxypyrimidin-4-yl)-4-phenylpiperidin-4-ol
SMILESCOc1cc(N2CCC(O)(c3ccccc3)CC2)nc(OC)n1
InChIInChI=1S/C17H21N3O3/c1-22-15-12-14(18-16(19-15)23-2)20-10-8-17(21,9-11-20)13-6-4-3-5-7-13/h3-7,12,21H,8-11H2,1-2H3
InChIKeyJGLYOOIVUYESFX-UHFFFAOYSA-N
XLogP1.98
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxypyrimidin-4-yl)-4-phenylpiperidin-4-ol?
The IUPAC name of 1-(2,6-dimethoxypyrimidin-4-yl)-4-phenylpiperidin-4-ol (CID 11438445) is 1-(2,6-dimethoxypyrimidin-4-yl)-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-(2,6-dimethoxypyrimidin-4-yl)-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-(2,6-dimethoxypyrimidin-4-yl)-4-phenylpiperidin-4-ol is COc1cc(N2CCC(O)(c3ccccc3)CC2)nc(OC)n1.
What is the InChIKey of 1-(2,6-dimethoxypyrimidin-4-yl)-4-phenylpiperidin-4-ol?
The InChIKey is JGLYOOIVUYESFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-22-15-12-14(18-16(19-15)23-2)20-10-8-17(21,9-11-20)13-6-4-3-5-7-13/h3-7,12,21H,8-11H2,1-2H3.
What are the key properties of 1-(2,6-dimethoxypyrimidin-4-yl)-4-phenylpiperidin-4-ol?
1-(2,6-dimethoxypyrimidin-4-yl)-4-phenylpiperidin-4-ol has a molecular weight of 315.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxypyrimidin-4-yl)-4-phenylpiperidin-4-ol is sourced from PubChem (CID 11438445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).