1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one

C17H25NO — CID 83055659

IUPAC1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one
SMILESCCCC1CCCCN1C(C)C(=O)c1ccccc1
InChIInChI=1S/C17H25NO/c1-3-9-16-12-7-8-13-18(16)14(2)17(19)15-10-5-4-6-11-15/h4-6,10-11,14,16H,3,7-9,12-13H2,1-2H3
InChIKeyCFTIYHCJDAKFOM-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.91
Rot. Bonds5

About 1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one

1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one (PubChem CID 83055659) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one
PubChem CID83055659
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one
SMILESCCCC1CCCCN1C(C)C(=O)c1ccccc1
InChIInChI=1S/C17H25NO/c1-3-9-16-12-7-8-13-18(16)14(2)17(19)15-10-5-4-6-11-15/h4-6,10-11,14,16H,3,7-9,12-13H2,1-2H3
InChIKeyCFTIYHCJDAKFOM-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-phenyl-2-(2-propylpiperidin-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

1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one
CID 83055660
2-[2-(hydroxymethyl)azepan-1-yl]-1-phenylpropan-1-one
CID 116635361
1-[(1R)-1-phenylethyl]-2-propylpiperidine
CID 118395761
1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 62053303
2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 43227547
2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 104690703
2-(2-propylpiperidin-1-yl)pentan-3-one
CID 83056378
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-ol
CID 83062205
1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62037342
2-(2,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,3]diazepin-1-yl)-1-phenylpropan-1-one
CID 58992467
(2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol
CID 10490739

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one (CID 83055659) is 1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one is CCCC1CCCCN1C(C)C(=O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one?
The InChIKey is CFTIYHCJDAKFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-9-16-12-7-8-13-18(16)14(2)17(19)15-10-5-4-6-11-15/h4-6,10-11,14,16H,3,7-9,12-13H2,1-2H3.
What are the key properties of 1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one?
1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 83055659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).