3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one

C18H28N2O — CID 115710053

IUPAC3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(C(C)NCCC(=O)N2CCCCC2)cc1C
InChIInChI=1S/C18H28N2O/c1-14-7-8-17(13-15(14)2)16(3)19-10-9-18(21)20-11-5-4-6-12-20/h7-8,13,16,19H,4-6,9-12H2,1-3H3
InChIKeyIWRBJMUFUIYIIE-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.36
Rot. Bonds5

About 3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one

3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 115710053) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID115710053
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(C(C)NCCC(=O)N2CCCCC2)cc1C
InChIInChI=1S/C18H28N2O/c1-14-7-8-17(13-15(14)2)16(3)19-10-9-18(21)20-11-5-4-6-12-20/h7-8,13,16,19H,4-6,9-12H2,1-3H3
InChIKeyIWRBJMUFUIYIIE-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115707228
3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 112700173
3-[1-(3-fluoro-4-methylphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713460
3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 102612475
3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 113223074
N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide
CID 61022459
3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 43203461
1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
CID 112550351
3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78860650
2-(azocan-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8583647
3-[1-(2-bromo-4-fluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 103777824
1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one
CID 109018108

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one (CID 115710053) is 3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one is Cc1ccc(C(C)NCCC(=O)N2CCCCC2)cc1C.
What is the InChIKey of 3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is IWRBJMUFUIYIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-7-8-17(13-15(14)2)16(3)19-10-9-18(21)20-11-5-4-6-12-20/h7-8,13,16,19H,4-6,9-12H2,1-3H3.
What are the key properties of 3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 288.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 115710053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).