1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one

C17H25NO — CID 43228135

IUPAC1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCc1ccc(C(=O)C(C)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H25NO/c1-4-15-5-7-16(8-6-15)17(19)14(3)18-11-9-13(2)10-12-18/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyPPJRSHLRZKQVQF-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.55
Rot. Bonds4

About 1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one

1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 43228135) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID43228135
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCc1ccc(C(=O)C(C)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H25NO/c1-4-15-5-7-16(8-6-15)17(19)14(3)18-11-9-13(2)10-12-18/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyPPJRSHLRZKQVQF-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one
CID 43228442
1-(4-ethylphenyl)-2-(2-methylmorpholin-4-yl)propan-1-one
CID 43794581
2-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 63622992
1-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1,4-diazepan-5-one
CID 63003643
1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one
CID 61421542
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-ethylphenyl)propan-1-one
CID 82752916
1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204702
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103498907
4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]morpholine-2-carbonitrile
CID 79674302
4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1-methyl-1,4-diazepan-2-one
CID 102889589
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
1-(4-aminophenyl)-2-(4-methylpiperidin-1-yl)butan-1-one
CID 82256532

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one (CID 43228135) is 1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one is CCc1ccc(C(=O)C(C)N2CCC(C)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is PPJRSHLRZKQVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-15-5-7-16(8-6-15)17(19)14(3)18-11-9-13(2)10-12-18/h5-8,13-14H,4,9-12H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one?
1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 43228135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).