(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylphenyl)methanone

C24H24N2O2 — CID 89491779

IUPAC(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccncc1)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C24H24N2O2/c27-23(22-9-5-4-8-21(22)20-10-14-25-15-11-20)26-16-12-24(28,13-17-26)18-19-6-2-1-3-7-19/h1-11,14-15,28H,12-13,16-18H2
InChIKeyGTYCVUUFYRQPMJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.96
Rot. Bonds4

About (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylphenyl)methanone

(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylphenyl)methanone (PubChem CID 89491779) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylphenyl)methanone.

Molecular Properties

Compound Name(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylphenyl)methanone
PubChem CID89491779
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccncc1)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C24H24N2O2/c27-23(22-9-5-4-8-21(22)20-10-14-25-15-11-20)26-16-12-24(28,13-17-26)18-19-6-2-1-3-7-19/h1-11,14-15,28H,12-13,16-18H2
InChIKeyGTYCVUUFYRQPMJ-UHFFFAOYSA-N
XLogP3.96
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylphenyl)methanone?
The IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylphenyl)methanone (CID 89491779) is (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylphenyl)methanone.
What is the SMILES notation for (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylphenyl)methanone?
The canonical SMILES for (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylphenyl)methanone is O=C(c1ccccc1-c1ccncc1)N1CCC(O)(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylphenyl)methanone?
The InChIKey is GTYCVUUFYRQPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-23(22-9-5-4-8-21(22)20-10-14-25-15-11-20)26-16-12-24(28,13-17-26)18-19-6-2-1-3-7-19/h1-11,14-15,28H,12-13,16-18H2.
What are the key properties of (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylphenyl)methanone?
(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylphenyl)methanone has a molecular weight of 372.47 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylphenyl)methanone is sourced from PubChem (CID 89491779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).