(1-benzyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone

C25H25NO2 — CID 2827008

IUPAC(1-benzyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1CN(Cc2ccccc2)CCC1(O)c1ccccc1
InChIInChI=1S/C25H25NO2/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/h1-15,23,28H,16-19H2
InChIKeyOEKWFEXLVMTFGD-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.28
Rot. Bonds5

About (1-benzyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone

(1-benzyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone (PubChem CID 2827008) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (1-benzyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-benzyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone
PubChem CID2827008
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(1-benzyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1CN(Cc2ccccc2)CCC1(O)c1ccccc1
InChIInChI=1S/C25H25NO2/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/h1-15,23,28H,16-19H2
InChIKeyOEKWFEXLVMTFGD-UHFFFAOYSA-N
XLogP4.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone?
The IUPAC name of (1-benzyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone (CID 2827008) is (1-benzyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone.
What is the SMILES notation for (1-benzyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone?
The canonical SMILES for (1-benzyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone is O=C(c1ccccc1)C1CN(Cc2ccccc2)CCC1(O)c1ccccc1.
What is the InChIKey of (1-benzyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone?
The InChIKey is OEKWFEXLVMTFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/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/h1-15,23,28H,16-19H2.
What are the key properties of (1-benzyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone?
(1-benzyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone has a molecular weight of 371.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4-hydroxy-4-phenylpiperidin-3-yl)-phenylmethanone is sourced from PubChem (CID 2827008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).