[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-ylphenyl)methanone

C23H23N3O2 — CID 89491780

IUPAC[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-ylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccncc1)N1CCC(O)(Cc2ccccn2)CC1
InChIInChI=1S/C23H23N3O2/c27-22(21-7-2-1-6-20(21)18-8-13-24-14-9-18)26-15-10-23(28,11-16-26)17-19-5-3-4-12-25-19/h1-9,12-14,28H,10-11,15-17H2
InChIKeyIYZKEZCGMBARID-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.35
Rot. Bonds4

About [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-ylphenyl)methanone

[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-ylphenyl)methanone (PubChem CID 89491780) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-ylphenyl)methanone
PubChem CID89491780
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-ylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccncc1)N1CCC(O)(Cc2ccccn2)CC1
InChIInChI=1S/C23H23N3O2/c27-22(21-7-2-1-6-20(21)18-8-13-24-14-9-18)26-15-10-23(28,11-16-26)17-19-5-3-4-12-25-19/h1-9,12-14,28H,10-11,15-17H2
InChIKeyIYZKEZCGMBARID-UHFFFAOYSA-N
XLogP3.35
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-ylphenyl)methanone?
The IUPAC name of [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-ylphenyl)methanone (CID 89491780) is [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-ylphenyl)methanone.
What is the SMILES notation for [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-ylphenyl)methanone?
The canonical SMILES for [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-ylphenyl)methanone is O=C(c1ccccc1-c1ccncc1)N1CCC(O)(Cc2ccccn2)CC1.
What is the InChIKey of [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-ylphenyl)methanone?
The InChIKey is IYZKEZCGMBARID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22(21-7-2-1-6-20(21)18-8-13-24-14-9-18)26-15-10-23(28,11-16-26)17-19-5-3-4-12-25-19/h1-9,12-14,28H,10-11,15-17H2.
What are the key properties of [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-ylphenyl)methanone?
[4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-ylphenyl)methanone has a molecular weight of 373.46 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(pyridin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-ylphenyl)methanone is sourced from PubChem (CID 89491780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).