2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone

C20H23NO — CID 82051048

IUPAC2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone
SMILESCC1CCCN(CC(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C20H23NO/c1-16-6-5-13-21(14-16)15-20(22)19-11-9-18(10-12-19)17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-15H2,1H3
InChIKeyLRHQWVAAQJZXMD-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.27
Rot. Bonds4

About 2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone

2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone (PubChem CID 82051048) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone
PubChem CID82051048
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone
SMILESCC1CCCN(CC(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C20H23NO/c1-16-6-5-13-21(14-16)15-20(22)19-11-9-18(10-12-19)17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-15H2,1H3
InChIKeyLRHQWVAAQJZXMD-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 5043058
3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 82051046
2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone
CID 82051816
1-(3,4-dihydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219441
2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 43227667
2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone
CID 82051054
1-(2-bromophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219429
1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 4042984
1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82050236
N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2681889
N-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 1118538
2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 43219442

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone (CID 82051048) is 2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone is CC1CCCN(CC(=O)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone?
The InChIKey is LRHQWVAAQJZXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-16-6-5-13-21(14-16)15-20(22)19-11-9-18(10-12-19)17-7-3-2-4-8-17/h2-4,7-12,16H,5-6,13-15H2,1H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone?
2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone has a molecular weight of 293.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 82051048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).