3-methyl-3-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-2-one

C19H29NO — CID 79051555

IUPAC3-methyl-3-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-2-one
SMILESCC(C)c1ccc(CC(=O)C(C)(C)N2CCCCC2)cc1
InChIInChI=1S/C19H29NO/c1-15(2)17-10-8-16(9-11-17)14-18(21)19(3,4)20-12-6-5-7-13-20/h8-11,15H,5-7,12-14H2,1-4H3
InChIKeyLZBOWLFOWMDFBK-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.19
Rot. Bonds5

About 3-methyl-3-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-2-one

3-methyl-3-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-2-one (PubChem CID 79051555) 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-(4-propan-2-ylphenyl)butan-2-one.

Molecular Properties

Compound Name3-methyl-3-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-2-one
PubChem CID79051555
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3-methyl-3-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-2-one
SMILESCC(C)c1ccc(CC(=O)C(C)(C)N2CCCCC2)cc1
InChIInChI=1S/C19H29NO/c1-15(2)17-10-8-16(9-11-17)14-18(21)19(3,4)20-12-6-5-7-13-20/h8-11,15H,5-7,12-14H2,1-4H3
InChIKeyLZBOWLFOWMDFBK-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one
CID 79056191
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine
CID 84747850
2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110399044
2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 79060271
1-piperidin-1-yl-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone
CID 9208442
1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one
CID 65139009
1-(1-benzothiophen-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one
CID 79051561
2-piperidin-1-yl-2-(4-propan-2-ylphenyl)acetamide
CID 82121488
2-methyl-2-piperidin-1-yl-1-[4-(sulfanylmethyl)phenyl]propan-1-one
CID 89279808
N-(2,2-dimethylpropyl)-2-methyl-1-[2-(4-propan-2-ylphenyl)acetyl]azetidine-2-carboxamide
CID 46948481
1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one
CID 103039428
1-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 171941294

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-2-one?
The IUPAC name of 3-methyl-3-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-2-one (CID 79051555) is 3-methyl-3-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-2-one.
What is the SMILES notation for 3-methyl-3-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-2-one?
The canonical SMILES for 3-methyl-3-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-2-one is CC(C)c1ccc(CC(=O)C(C)(C)N2CCCCC2)cc1.
What is the InChIKey of 3-methyl-3-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-2-one?
The InChIKey is LZBOWLFOWMDFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-15(2)17-10-8-16(9-11-17)14-18(21)19(3,4)20-12-6-5-7-13-20/h8-11,15H,5-7,12-14H2,1-4H3.
What are the key properties of 3-methyl-3-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-2-one?
3-methyl-3-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-2-one has a molecular weight of 287.45 g/mol, XLogP of 4.19, 5 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-(4-propan-2-ylphenyl)butan-2-one is sourced from PubChem (CID 79051555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).