3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one

C17H25NO — CID 55156322

IUPAC3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)CCN2CCC(C)(C)CC2)c1
InChIInChI=1S/C17H25NO/c1-14-5-4-6-15(13-14)16(19)7-10-18-11-8-17(2,3)9-12-18/h4-6,13H,7-12H2,1-3H3
InChIKeyBXOREVURIMPTMP-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.69
Rot. Bonds4

About 3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one

3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one (PubChem CID 55156322) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one
PubChem CID55156322
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)CCN2CCC(C)(C)CC2)c1
InChIInChI=1S/C17H25NO/c1-14-5-4-6-15(13-14)16(19)7-10-18-11-8-17(2,3)9-12-18/h4-6,13H,7-12H2,1-3H3
InChIKeyBXOREVURIMPTMP-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-hydroxy-4-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 81103969
3-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylphenyl)propan-1-one
CID 107408651
3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 103358415
1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one
CID 62931132
1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
CID 10198554
3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)propan-1-one
CID 106837729
3-(4-benzhydrylpiperazin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 15645947
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(3-methylphenyl)propan-1-one
CID 63151310
1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62629678
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 63160197
1-(3-methylphenyl)butan-1-one
CID 4304992
4-methyl-1-(3-methylphenyl)pent-4-en-1-one
CID 114473491

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one?
The IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one (CID 55156322) is 3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one?
The canonical SMILES for 3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one is Cc1cccc(C(=O)CCN2CCC(C)(C)CC2)c1.
What is the InChIKey of 3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one?
The InChIKey is BXOREVURIMPTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14-5-4-6-15(13-14)16(19)7-10-18-11-8-17(2,3)9-12-18/h4-6,13H,7-12H2,1-3H3.
What are the key properties of 3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one?
3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 55156322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).