2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one

C22H26ClNO — CID 11717371

IUPAC2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
SMILESCC1(c2ccccc2)CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26ClNO/c1-21(2,17-9-11-19(23)12-10-17)20(25)24-15-13-22(3,14-16-24)18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3
InChIKeyYLNDDTBFMRYPPP-UHFFFAOYSA-N
MW355.91 g/mol
LogP5.20
Rot. Bonds3

About 2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one

2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one (PubChem CID 11717371) has the molecular formula C22H26ClNO and a molecular weight of 355.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
PubChem CID11717371
Molecular FormulaC22H26ClNO
Molecular Weight355.91 g/mol
Exact Mass355.17
IUPAC Name2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
SMILESCC1(c2ccccc2)CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26ClNO/c1-21(2,17-9-11-19(23)12-10-17)20(25)24-15-13-22(3,14-16-24)18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3
InChIKeyYLNDDTBFMRYPPP-UHFFFAOYSA-N
XLogP5.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.91
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
CID 142910401
2-(4-chlorophenyl)-2-methyl-1-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpropan-1-one
CID 11717611
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one
CID 20607370
1-[4-(2-tert-butylsilyloxypropan-2-yl)-4-phenylpiperidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one
CID 154253554
1-(azepan-1-yl)-2-(4-chlorophenyl)-2-methylpropan-1-one
CID 11673560
1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168579
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride
CID 120805682
2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one
CID 75402758
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one
CID 35371146
2-chloro-1-[4-(4-chlorophenyl)-4-methylpiperidin-1-yl]ethanone
CID 166414867
2-methyl-3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropanoic acid
CID 122065781
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 35025394

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one (CID 11717371) is 2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one is CC1(c2ccccc2)CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one?
The InChIKey is YLNDDTBFMRYPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO/c1-21(2,17-9-11-19(23)12-10-17)20(25)24-15-13-22(3,14-16-24)18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one?
2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one has a molecular weight of 355.91 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 11717371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).