3-methyl-3-piperidin-1-yl-1-(2,4,6-trimethylphenyl)butan-2-one

C19H29NO — CID 79051553

IUPAC3-methyl-3-piperidin-1-yl-1-(2,4,6-trimethylphenyl)butan-2-one
SMILESCc1cc(C)c(CC(=O)C(C)(C)N2CCCCC2)c(C)c1
InChIInChI=1S/C19H29NO/c1-14-11-15(2)17(16(3)12-14)13-18(21)19(4,5)20-9-7-6-8-10-20/h11-12H,6-10,13H2,1-5H3
InChIKeyXZMIIQUTTMZHLI-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.99
Rot. Bonds4

About 3-methyl-3-piperidin-1-yl-1-(2,4,6-trimethylphenyl)butan-2-one

3-methyl-3-piperidin-1-yl-1-(2,4,6-trimethylphenyl)butan-2-one (PubChem CID 79051553) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-methyl-3-piperidin-1-yl-1-(2,4,6-trimethylphenyl)butan-2-one.

Molecular Properties

Compound Name3-methyl-3-piperidin-1-yl-1-(2,4,6-trimethylphenyl)butan-2-one
PubChem CID79051553
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3-methyl-3-piperidin-1-yl-1-(2,4,6-trimethylphenyl)butan-2-one
SMILESCc1cc(C)c(CC(=O)C(C)(C)N2CCCCC2)c(C)c1
InChIInChI=1S/C19H29NO/c1-14-11-15(2)17(16(3)12-14)13-18(21)19(4,5)20-9-7-6-8-10-20/h11-12H,6-10,13H2,1-5H3
InChIKeyXZMIIQUTTMZHLI-UHFFFAOYSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Nepinalone
CID 3047788
2-(N-Pyrrolidinyl)-3''-methylpropiophenone
CID 45141807
1-(2-Naphthyl)-2-(1-piperidinyl)-1-propanone hydrochloride
CID 2845132
1-(2,5-Dimethylphenyl)-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]butan-1-one
CID 52943802
Propiophenone, 4'-methyl-2-piperidino-
CID 213251
2-Propanone, 1-(diethylamino)-3-(2,6-xylyl)-
CID 3022022
1-(3,4-Dimethylphenyl)-2-(pyrrolidin-1-yl)pentan-1-one
CID 129844569
(3,4-Dimethylphenyl)-(1-propyl-3-piperidyl)methanone
CID 121479061
2-Butanone, 4,4-diphenyl-1-piperidino-
CID 13785
Ethanone, 2-(4-methyl-1-piperazinyl)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, hydrochloride, hydrate (2:4:1)
CID 39329
Propiophenone, 2',4'-dimethyl-3-piperidino-, hydrochloride
CID 214221
1-(2,4-Dimethylphenyl)-2-methyl-3-(piperidin-1-yl)propan-1-one--hydrogen chloride (1/1)
CID 214225

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-piperidin-1-yl-1-(2,4,6-trimethylphenyl)butan-2-one?
The IUPAC name of 3-methyl-3-piperidin-1-yl-1-(2,4,6-trimethylphenyl)butan-2-one (CID 79051553) is 3-methyl-3-piperidin-1-yl-1-(2,4,6-trimethylphenyl)butan-2-one.
What is the SMILES notation for 3-methyl-3-piperidin-1-yl-1-(2,4,6-trimethylphenyl)butan-2-one?
The canonical SMILES for 3-methyl-3-piperidin-1-yl-1-(2,4,6-trimethylphenyl)butan-2-one is Cc1cc(C)c(CC(=O)C(C)(C)N2CCCCC2)c(C)c1.
What is the InChIKey of 3-methyl-3-piperidin-1-yl-1-(2,4,6-trimethylphenyl)butan-2-one?
The InChIKey is XZMIIQUTTMZHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14-11-15(2)17(16(3)12-14)13-18(21)19(4,5)20-9-7-6-8-10-20/h11-12H,6-10,13H2,1-5H3.
What are the key properties of 3-methyl-3-piperidin-1-yl-1-(2,4,6-trimethylphenyl)butan-2-one?
3-methyl-3-piperidin-1-yl-1-(2,4,6-trimethylphenyl)butan-2-one has a molecular weight of 287.45 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-piperidin-1-yl-1-(2,4,6-trimethylphenyl)butan-2-one is sourced from PubChem (CID 79051553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).