1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone

C19H29NO — CID 103499002

IUPAC1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)c1ccc(C(=O)CN2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C19H29NO/c1-14(2)16-5-7-18(8-6-16)19(21)13-20-11-9-17(10-12-20)15(3)4/h5-8,14-15,17H,9-13H2,1-4H3
InChIKeyXDFSLVVXJBHSKB-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.36
Rot. Bonds5

About 1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone

1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone (PubChem CID 103499002) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
PubChem CID103499002
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)c1ccc(C(=O)CN2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C19H29NO/c1-14(2)16-5-7-18(8-6-16)19(21)13-20-11-9-17(10-12-20)15(3)4/h5-8,14-15,17H,9-13H2,1-4H3
InChIKeyXDFSLVVXJBHSKB-UHFFFAOYSA-N
XLogP4.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 63567700
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone
CID 110366829
1-(4-ethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836545
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 43228365
1-(4-propan-2-ylphenyl)-2-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 110366862
1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421828
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 65319733
1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid
CID 82224047
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
CID 112626508
2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone
CID 61421640
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(4-propan-2-ylphenyl)ethanone
CID 62889837
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 112626490

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone (CID 103499002) is 1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone is CC(C)c1ccc(C(=O)CN2CCC(C(C)C)CC2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone?
The InChIKey is XDFSLVVXJBHSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)16-5-7-18(8-6-16)19(21)13-20-11-9-17(10-12-20)15(3)4/h5-8,14-15,17H,9-13H2,1-4H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone?
1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone has a molecular weight of 287.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 103499002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).