3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one

C17H26N2O — CID 104502322

IUPAC3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one
SMILESCCC1CCN(C(=O)CC(C)c2ccc(N)cc2)CC1
InChIInChI=1S/C17H26N2O/c1-3-14-8-10-19(11-9-14)17(20)12-13(2)15-4-6-16(18)7-5-15/h4-7,13-14H,3,8-12,18H2,1-2H3
InChIKeyCTAOOZVVSPKFJR-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.41
Rot. Bonds4

About 3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one

3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one (PubChem CID 104502322) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one
PubChem CID104502322
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one
SMILESCCC1CCN(C(=O)CC(C)c2ccc(N)cc2)CC1
InChIInChI=1S/C17H26N2O/c1-3-14-8-10-19(11-9-14)17(20)12-13(2)15-4-6-16(18)7-5-15/h4-7,13-14H,3,8-12,18H2,1-2H3
InChIKeyCTAOOZVVSPKFJR-UHFFFAOYSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-1-(4-methylazepan-1-yl)butan-1-one
CID 104502625
3-(4-aminophenyl)-1-(4,4-dimethylpiperidin-1-yl)butan-1-one
CID 104502582
3-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 104502206
3-(4-aminophenyl)-1-thiomorpholin-4-ylbutan-1-one
CID 104502088
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one
CID 119645141
1-[3-(4-aminophenyl)butanoyl]pyrrolidine-3-carboxylic acid
CID 104502591
3-(4-aminophenyl)-1-[3-(hydroxymethyl)azetidin-1-yl]butan-1-one
CID 107220455
3-(4-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 104502338
1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
CID 72638559
3-(4-aminophenyl)-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one
CID 104502086
3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 61114719
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride
CID 119622481

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one?
The IUPAC name of 3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one (CID 104502322) is 3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one is CCC1CCN(C(=O)CC(C)c2ccc(N)cc2)CC1.
What is the InChIKey of 3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one?
The InChIKey is CTAOOZVVSPKFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-14-8-10-19(11-9-14)17(20)12-13(2)15-4-6-16(18)7-5-15/h4-7,13-14H,3,8-12,18H2,1-2H3.
What are the key properties of 3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one?
3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one has a molecular weight of 274.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 104502322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).