[4-(3-chlorophenyl)-2-hydroxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone

C22H20ClN3O2 — CID 15951473

IUPAC[4-(3-chlorophenyl)-2-hydroxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
SMILESO=C(c1ccc(-c2cccc(Cl)c2)cc1O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H20ClN3O2/c23-18-4-1-3-16(13-18)17-5-6-19(20(27)14-17)21(28)15-7-11-26(12-8-15)22-24-9-2-10-25-22/h1-6,9-10,13-15,27H,7-8,11-12H2
InChIKeyVGVRJQOFAJMDJC-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.60
Rot. Bonds4

About [4-(3-chlorophenyl)-2-hydroxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone

[4-(3-chlorophenyl)-2-hydroxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone (PubChem CID 15951473) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is [4-(3-chlorophenyl)-2-hydroxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)-2-hydroxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
PubChem CID15951473
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name[4-(3-chlorophenyl)-2-hydroxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
SMILESO=C(c1ccc(-c2cccc(Cl)c2)cc1O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H20ClN3O2/c23-18-4-1-3-16(13-18)17-5-6-19(20(27)14-17)21(28)15-7-11-26(12-8-15)22-24-9-2-10-25-22/h1-6,9-10,13-15,27H,7-8,11-12H2
InChIKeyVGVRJQOFAJMDJC-UHFFFAOYSA-N
XLogP4.60
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)-2-hydroxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)-2-hydroxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone (CID 15951473) is [4-(3-chlorophenyl)-2-hydroxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)-2-hydroxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)-2-hydroxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone is O=C(c1ccc(-c2cccc(Cl)c2)cc1O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)-2-hydroxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone?
The InChIKey is VGVRJQOFAJMDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c23-18-4-1-3-16(13-18)17-5-6-19(20(27)14-17)21(28)15-7-11-26(12-8-15)22-24-9-2-10-25-22/h1-6,9-10,13-15,27H,7-8,11-12H2.
What are the key properties of [4-(3-chlorophenyl)-2-hydroxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone?
[4-(3-chlorophenyl)-2-hydroxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone has a molecular weight of 393.87 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)-2-hydroxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 15951473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).