1-benzyl-3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol

C25H27NO2 — CID 2975495

IUPAC1-benzyl-3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol
SMILESOC(c1ccccc1)C1CN(Cc2ccccc2)CCC1(O)c1ccccc1
InChIInChI=1S/C25H27NO2/c27-24(21-12-6-2-7-13-21)23-19-26(18-20-10-4-1-5-11-20)17-16-25(23,28)22-14-8-3-9-15-22/h1-15,23-24,27-28H,16-19H2
InChIKeyIUOKAJBTLLBDLO-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.13
Rot. Bonds5

About 1-benzyl-3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol

1-benzyl-3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol (PubChem CID 2975495) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-benzyl-3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol
PubChem CID2975495
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name1-benzyl-3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol
SMILESOC(c1ccccc1)C1CN(Cc2ccccc2)CCC1(O)c1ccccc1
InChIInChI=1S/C25H27NO2/c27-24(21-12-6-2-7-13-21)23-19-26(18-20-10-4-1-5-11-20)17-16-25(23,28)22-14-8-3-9-15-22/h1-15,23-24,27-28H,16-19H2
InChIKeyIUOKAJBTLLBDLO-UHFFFAOYSA-N
XLogP4.13
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-benzyl-3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol (CID 2975495) is 1-benzyl-3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-benzyl-3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-benzyl-3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol is OC(c1ccccc1)C1CN(Cc2ccccc2)CCC1(O)c1ccccc1.
What is the InChIKey of 1-benzyl-3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol?
The InChIKey is IUOKAJBTLLBDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c27-24(21-12-6-2-7-13-21)23-19-26(18-20-10-4-1-5-11-20)17-16-25(23,28)22-14-8-3-9-15-22/h1-15,23-24,27-28H,16-19H2.
What are the key properties of 1-benzyl-3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol?
1-benzyl-3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol has a molecular weight of 373.50 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 2975495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).