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

C16H24N2O — CID 61114719

IUPAC3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCN(C(=O)CCc2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N2O/c1-2-13-9-11-18(12-10-13)16(19)8-5-14-3-6-15(17)7-4-14/h3-4,6-7,13H,2,5,8-12,17H2,1H3
InChIKeyYXLLXDMDGRSXMB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.85
Rot. Bonds4

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

3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one (PubChem CID 61114719) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one
PubChem CID61114719
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCN(C(=O)CCc2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N2O/c1-2-13-9-11-18(12-10-13)16(19)8-5-14-3-6-15(17)7-4-14/h3-4,6-7,13H,2,5,8-12,17H2,1H3
InChIKeyYXLLXDMDGRSXMB-UHFFFAOYSA-N
XLogP2.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one;hydrochloride
CID 119374555
3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one
CID 61116139
1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 55220018
3-(2-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120609548
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 54878914
3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one
CID 104502322
3-(4-aminophenyl)-1-(3-hydroxy-3-methylazetidin-1-yl)propan-1-one
CID 107210532
2-[4-(aminomethyl)phenyl]-1-(4-ethylpiperidin-1-yl)ethanone
CID 63591376
(4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate
CID 64775888
3-(4-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119644784
2-(4-aminophenyl)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 119698261
3-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107209704

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one (CID 61114719) is 3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one is CCC1CCN(C(=O)CCc2ccc(N)cc2)CC1.
What is the InChIKey of 3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one?
The InChIKey is YXLLXDMDGRSXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-13-9-11-18(12-10-13)16(19)8-5-14-3-6-15(17)7-4-14/h3-4,6-7,13H,2,5,8-12,17H2,1H3.
What are the key properties of 3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one?
3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.85, 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)propan-1-one is sourced from PubChem (CID 61114719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).