2-(1-benzylpiperidin-4-yl)-1-[4-(hydroxymethyl)phenyl]ethanone

C21H25NO2 — CID 10019100

IUPAC2-(1-benzylpiperidin-4-yl)-1-[4-(hydroxymethyl)phenyl]ethanone
SMILESO=C(CC1CCN(Cc2ccccc2)CC1)c1ccc(CO)cc1
InChIInChI=1S/C21H25NO2/c23-16-19-6-8-20(9-7-19)21(24)14-17-10-12-22(13-11-17)15-18-4-2-1-3-5-18/h1-9,17,23H,10-16H2
InChIKeyFLJUGLHPEGJBNI-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.66
Rot. Bonds6

About 2-(1-benzylpiperidin-4-yl)-1-[4-(hydroxymethyl)phenyl]ethanone

2-(1-benzylpiperidin-4-yl)-1-[4-(hydroxymethyl)phenyl]ethanone (PubChem CID 10019100) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-1-[4-(hydroxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-1-[4-(hydroxymethyl)phenyl]ethanone
PubChem CID10019100
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name2-(1-benzylpiperidin-4-yl)-1-[4-(hydroxymethyl)phenyl]ethanone
SMILESO=C(CC1CCN(Cc2ccccc2)CC1)c1ccc(CO)cc1
InChIInChI=1S/C21H25NO2/c23-16-19-6-8-20(9-7-19)21(24)14-17-10-12-22(13-11-17)15-18-4-2-1-3-5-18/h1-9,17,23H,10-16H2
InChIKeyFLJUGLHPEGJBNI-UHFFFAOYSA-N
XLogP3.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-[4-(hydroxymethyl)phenyl]ethanone?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-1-[4-(hydroxymethyl)phenyl]ethanone (CID 10019100) is 2-(1-benzylpiperidin-4-yl)-1-[4-(hydroxymethyl)phenyl]ethanone.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-1-[4-(hydroxymethyl)phenyl]ethanone?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-1-[4-(hydroxymethyl)phenyl]ethanone is O=C(CC1CCN(Cc2ccccc2)CC1)c1ccc(CO)cc1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-1-[4-(hydroxymethyl)phenyl]ethanone?
The InChIKey is FLJUGLHPEGJBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-16-19-6-8-20(9-7-19)21(24)14-17-10-12-22(13-11-17)15-18-4-2-1-3-5-18/h1-9,17,23H,10-16H2.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-1-[4-(hydroxymethyl)phenyl]ethanone?
2-(1-benzylpiperidin-4-yl)-1-[4-(hydroxymethyl)phenyl]ethanone has a molecular weight of 323.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-1-[4-(hydroxymethyl)phenyl]ethanone is sourced from PubChem (CID 10019100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).