2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-chlorophenyl)ethanone

C20H22ClNO2 — CID 25167943

IUPAC2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-chlorophenyl)ethanone
SMILESO=C(CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClNO2/c21-18-8-6-17(7-9-18)19(23)14-20(24)10-12-22(13-11-20)15-16-4-2-1-3-5-16/h1-9,24H,10-15H2
InChIKeyDIKQYBWRQGAPKV-UHFFFAOYSA-N
MW343.85 g/mol
LogP3.94
Rot. Bonds5

About 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-chlorophenyl)ethanone

2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-chlorophenyl)ethanone (PubChem CID 25167943) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-chlorophenyl)ethanone
PubChem CID25167943
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-chlorophenyl)ethanone
SMILESO=C(CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClNO2/c21-18-8-6-17(7-9-18)19(23)14-20(24)10-12-22(13-11-20)15-16-4-2-1-3-5-16/h1-9,24H,10-15H2
InChIKeyDIKQYBWRQGAPKV-UHFFFAOYSA-N
XLogP3.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-chlorophenyl)ethanone (CID 25167943) is 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-chlorophenyl)ethanone is O=C(CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-chlorophenyl)ethanone?
The InChIKey is DIKQYBWRQGAPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2/c21-18-8-6-17(7-9-18)19(23)14-20(24)10-12-22(13-11-20)15-16-4-2-1-3-5-16/h1-9,24H,10-15H2.
What are the key properties of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-chlorophenyl)ethanone?
2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-chlorophenyl)ethanone has a molecular weight of 343.85 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 25167943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).