1-(6-dibenzothiophen-2-ylpyrimidin-4-yl)piperidin-4-ol

C21H19N3OS — CID 131911689

IUPAC1-(6-dibenzothiophen-2-ylpyrimidin-4-yl)piperidin-4-ol
SMILESOC1CCN(c2cc(-c3ccc4sc5ccccc5c4c3)ncn2)CC1
InChIInChI=1S/C21H19N3OS/c25-15-7-9-24(10-8-15)21-12-18(22-13-23-21)14-5-6-20-17(11-14)16-3-1-2-4-19(16)26-20/h1-6,11-13,15,25H,7-10H2
InChIKeyOGLFGYCRGNOLOI-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.47
Rot. Bonds2

About 1-(6-dibenzothiophen-2-ylpyrimidin-4-yl)piperidin-4-ol

1-(6-dibenzothiophen-2-ylpyrimidin-4-yl)piperidin-4-ol (PubChem CID 131911689) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-(6-dibenzothiophen-2-ylpyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(6-dibenzothiophen-2-ylpyrimidin-4-yl)piperidin-4-ol
PubChem CID131911689
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name1-(6-dibenzothiophen-2-ylpyrimidin-4-yl)piperidin-4-ol
SMILESOC1CCN(c2cc(-c3ccc4sc5ccccc5c4c3)ncn2)CC1
InChIInChI=1S/C21H19N3OS/c25-15-7-9-24(10-8-15)21-12-18(22-13-23-21)14-5-6-20-17(11-14)16-3-1-2-4-19(16)26-20/h1-6,11-13,15,25H,7-10H2
InChIKeyOGLFGYCRGNOLOI-UHFFFAOYSA-N
XLogP4.47
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 126848543
1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 126848882
1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549329
(2-dibenzothiophen-2-yl-4-pyridinyl)-trimethylsilane
CID 140719910
N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53005520
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
1-(1,2-benzothiazol-3-yl)piperidin-4-ol
CID 66570294
2-dibenzofuran-2-yl-6-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)pyridine
CID 137466524
2,5-di(dibenzothiophen-2-yl)benzene-1,4-diol
CID 169075776
1-[6-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 72891406
4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine
CID 162708702

Frequently Asked Questions

What is the IUPAC name of 1-(6-dibenzothiophen-2-ylpyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of 1-(6-dibenzothiophen-2-ylpyrimidin-4-yl)piperidin-4-ol (CID 131911689) is 1-(6-dibenzothiophen-2-ylpyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-(6-dibenzothiophen-2-ylpyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for 1-(6-dibenzothiophen-2-ylpyrimidin-4-yl)piperidin-4-ol is OC1CCN(c2cc(-c3ccc4sc5ccccc5c4c3)ncn2)CC1.
What is the InChIKey of 1-(6-dibenzothiophen-2-ylpyrimidin-4-yl)piperidin-4-ol?
The InChIKey is OGLFGYCRGNOLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c25-15-7-9-24(10-8-15)21-12-18(22-13-23-21)14-5-6-20-17(11-14)16-3-1-2-4-19(16)26-20/h1-6,11-13,15,25H,7-10H2.
What are the key properties of 1-(6-dibenzothiophen-2-ylpyrimidin-4-yl)piperidin-4-ol?
1-(6-dibenzothiophen-2-ylpyrimidin-4-yl)piperidin-4-ol has a molecular weight of 361.47 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-dibenzothiophen-2-ylpyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 131911689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).