1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-1-one

C18H28N2O — CID 114498565

IUPAC1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-1-one
SMILESCCNC1CCN(C(=O)CCCc2ccccc2)CC1C
InChIInChI=1S/C18H28N2O/c1-3-19-17-12-13-20(14-15(17)2)18(21)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,15,17,19H,3,7,10-14H2,1-2H3
InChIKeyWTDYAZKUTHEPAT-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.86
Rot. Bonds6

About 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-1-one

1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-1-one (PubChem CID 114498565) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-1-one
PubChem CID114498565
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-1-one
SMILESCCNC1CCN(C(=O)CCCc2ccccc2)CC1C
InChIInChI=1S/C18H28N2O/c1-3-19-17-12-13-20(14-15(17)2)18(21)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,15,17,19H,3,7,10-14H2,1-2H3
InChIKeyWTDYAZKUTHEPAT-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-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-chloro-3-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 114683070
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one
CID 807657
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 103900621
methyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate
CID 58075022
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 114498414
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 110891683
1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one
CID 63753831
[3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone
CID 114498596
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-phenylpentan-1-one
CID 56875991

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-1-one (CID 114498565) is 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-1-one is CCNC1CCN(C(=O)CCCc2ccccc2)CC1C.
What is the InChIKey of 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-1-one?
The InChIKey is WTDYAZKUTHEPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-19-17-12-13-20(14-15(17)2)18(21)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,15,17,19H,3,7,10-14H2,1-2H3.
What are the key properties of 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-1-one?
1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-1-one has a molecular weight of 288.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 114498565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).