4-(4-chlorophenyl)-1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-4-ol

C23H23ClN2O2 — CID 42166450

IUPAC4-(4-chlorophenyl)-1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-4-ol
SMILESOc1ccc(-c2cccnc2)cc1CN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H23ClN2O2/c24-21-6-4-20(5-7-21)23(28)9-12-26(13-10-23)16-19-14-17(3-8-22(19)27)18-2-1-11-25-15-18/h1-8,11,14-15,27-28H,9-10,12-13,16H2
InChIKeyHKSPMOWJTKERQM-UHFFFAOYSA-N
MW394.90 g/mol
LogP4.59
Rot. Bonds4

About 4-(4-chlorophenyl)-1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-4-ol (PubChem CID 42166450) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-4-ol
PubChem CID42166450
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC Name4-(4-chlorophenyl)-1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-4-ol
SMILESOc1ccc(-c2cccnc2)cc1CN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H23ClN2O2/c24-21-6-4-20(5-7-21)23(28)9-12-26(13-10-23)16-19-14-17(3-8-22(19)27)18-2-1-11-25-15-18/h1-8,11,14-15,27-28H,9-10,12-13,16H2
InChIKeyHKSPMOWJTKERQM-UHFFFAOYSA-N
XLogP4.59
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-4-ol (CID 42166450) is 4-(4-chlorophenyl)-1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-4-ol is Oc1ccc(-c2cccnc2)cc1CN1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-4-ol?
The InChIKey is HKSPMOWJTKERQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c24-21-6-4-20(5-7-21)23(28)9-12-26(13-10-23)16-19-14-17(3-8-22(19)27)18-2-1-11-25-15-18/h1-8,11,14-15,27-28H,9-10,12-13,16H2.
What are the key properties of 4-(4-chlorophenyl)-1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-4-ol has a molecular weight of 394.90 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 42166450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).