1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone

C21H24FNO — CID 22248253

IUPAC1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone
SMILESCC1CC(C(=O)Cc2ccccc2F)CCN1Cc1ccccc1
InChIInChI=1S/C21H24FNO/c1-16-13-19(21(24)14-18-9-5-6-10-20(18)22)11-12-23(16)15-17-7-3-2-4-8-17/h2-10,16,19H,11-15H2,1H3
InChIKeyOMPISEDCSSUYAY-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.24
Rot. Bonds5

About 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone

1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone (PubChem CID 22248253) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone
PubChem CID22248253
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone
SMILESCC1CC(C(=O)Cc2ccccc2F)CCN1Cc1ccccc1
InChIInChI=1S/C21H24FNO/c1-16-13-19(21(24)14-18-9-5-6-10-20(18)22)11-12-23(16)15-17-7-3-2-4-8-17/h2-10,16,19H,11-15H2,1H3
InChIKeyOMPISEDCSSUYAY-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 106745213
1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745067
1-[(3,4-difluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744824
1-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-(2-fluorophenyl)ethanone
CID 59028253
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-2-(2-fluorophenyl)ethanone
CID 67047291
1-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745111
1-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745166
1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745496
(2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 129381448
1-[(4-cyanophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744930
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2,6-difluorophenyl)ethanone
CID 171947623
N-(1-benzyl-2-methylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 71860677

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone (CID 22248253) is 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone is CC1CC(C(=O)Cc2ccccc2F)CCN1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone?
The InChIKey is OMPISEDCSSUYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO/c1-16-13-19(21(24)14-18-9-5-6-10-20(18)22)11-12-23(16)15-17-7-3-2-4-8-17/h2-10,16,19H,11-15H2,1H3.
What are the key properties of 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone?
1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone has a molecular weight of 325.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 22248253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).