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

C23H23N3O2 — CID 86680854

IUPAC(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-ylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccncn1)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C23H23N3O2/c27-22(20-9-5-4-8-19(20)21-10-13-24-17-25-21)26-14-11-23(28,12-15-26)16-18-6-2-1-3-7-18/h1-10,13,17,28H,11-12,14-16H2
InChIKeyLBNCVBUEKSBVDH-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.35
Rot. Bonds4

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

(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-ylphenyl)methanone (PubChem CID 86680854) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-ylphenyl)methanone.

Molecular Properties

Compound Name(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-ylphenyl)methanone
PubChem CID86680854
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-ylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccncn1)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C23H23N3O2/c27-22(20-9-5-4-8-19(20)21-10-13-24-17-25-21)26-14-11-23(28,12-15-26)16-18-6-2-1-3-7-18/h1-10,13,17,28H,11-12,14-16H2
InChIKeyLBNCVBUEKSBVDH-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-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-ylphenyl)methanone?
The IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-ylphenyl)methanone (CID 86680854) is (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-ylphenyl)methanone.
What is the SMILES notation for (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-ylphenyl)methanone?
The canonical SMILES for (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-ylphenyl)methanone is O=C(c1ccccc1-c1ccncn1)N1CCC(O)(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-ylphenyl)methanone?
The InChIKey is LBNCVBUEKSBVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22(20-9-5-4-8-19(20)21-10-13-24-17-25-21)26-14-11-23(28,12-15-26)16-18-6-2-1-3-7-18/h1-10,13,17,28H,11-12,14-16H2.
What are the key properties of (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-ylphenyl)methanone?
(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-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-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-ylphenyl)methanone is sourced from PubChem (CID 86680854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).