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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Related Compounds

4-[2-(4-Fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine
CID 164673350
(2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine
CID 166634181
4-(Benzyloxy)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 46228092
{1-(6-Methoxypyrimidin-4-yl)-4-[2-(trifluoromethyl)benzyl]piperidin-4-yl}methanol
CID 56759190
3-[(6-Methoxypyrimidin-4-YL)(methyl)amino]-1-phenylpropan-1-OL
CID 50969721
[3-(2-Fluorobenzyl)-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol
CID 56754043
[1-(6-Aminopyrimidin-4-yl)-4-(4-methoxybenzyl)piperidin-4-yl]methanol
CID 56759996
2-(4-Fluorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 56880270
4-[(3S*,4R*)-3-(dimethylamino)-4-(4-methoxyphenyl)-1-pyrrolidinyl]-6-methoxy-2-pyrimidinamine
CID 72839182
6-{3-[(2-Methylphenoxy)methyl]-1-piperidinyl}-2,4-pyrimidinediamine
CID 72914782
4-methoxy-6-[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine
CID 97422780
4-methoxy-6-[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine
CID 97423361

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).