1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone

C17H25NO — CID 63158758

IUPAC1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone
SMILESCCC1(CC)CCN(c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C17H25NO/c1-4-17(5-2)10-12-18(13-11-17)16-8-6-15(7-9-16)14(3)19/h6-9H,4-5,10-13H2,1-3H3
InChIKeyYQCQTQLFJYNHAA-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.30
Rot. Bonds4

About 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone

1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone (PubChem CID 63158758) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone
PubChem CID63158758
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone
SMILESCCC1(CC)CCN(c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C17H25NO/c1-4-17(5-2)10-12-18(13-11-17)16-8-6-15(7-9-16)14(3)19/h6-9H,4-5,10-13H2,1-3H3
InChIKeyYQCQTQLFJYNHAA-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone 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-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone
CID 63158711
1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone
CID 63158848
4-(4,4-diethylpiperidin-1-yl)benzaldehyde
CID 63158669
1-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]ethanone
CID 115034874
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
ethane;1-(4-piperazin-1-ylphenyl)ethanone
CID 142085748
1-[4-[4-(3-methylbut-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 39975587
N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108956184
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992265
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-bromoethanone
CID 63681378
6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63161227
4-(4,4-dimethylpiperidin-1-yl)benzoic acid
CID 11535980

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone (CID 63158758) is 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone is CCC1(CC)CCN(c2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone?
The InChIKey is YQCQTQLFJYNHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-17(5-2)10-12-18(13-11-17)16-8-6-15(7-9-16)14(3)19/h6-9H,4-5,10-13H2,1-3H3.
What are the key properties of 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone?
1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone has a molecular weight of 259.39 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4-diethylpiperidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 63158758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).