1-[4-[2-[1-(2-methylphenyl)ethylamino]ethyl]piperazin-1-yl]ethanone

C17H27N3O — CID 75382751

IUPAC1-[4-[2-[1-(2-methylphenyl)ethylamino]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCNC(C)c2ccccc2C)CC1
InChIInChI=1S/C17H27N3O/c1-14-6-4-5-7-17(14)15(2)18-8-9-19-10-12-20(13-11-19)16(3)21/h4-7,15,18H,8-13H2,1-3H3
InChIKeyBJGVSEKWAZNOFT-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.81
Rot. Bonds5

About 1-[4-[2-[1-(2-methylphenyl)ethylamino]ethyl]piperazin-1-yl]ethanone

1-[4-[2-[1-(2-methylphenyl)ethylamino]ethyl]piperazin-1-yl]ethanone (PubChem CID 75382751) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[4-[2-[1-(2-methylphenyl)ethylamino]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[1-(2-methylphenyl)ethylamino]ethyl]piperazin-1-yl]ethanone
PubChem CID75382751
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[4-[2-[1-(2-methylphenyl)ethylamino]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCNC(C)c2ccccc2C)CC1
InChIInChI=1S/C17H27N3O/c1-14-6-4-5-7-17(14)15(2)18-8-9-19-10-12-20(13-11-19)16(3)21/h4-7,15,18H,8-13H2,1-3H3
InChIKeyBJGVSEKWAZNOFT-UHFFFAOYSA-N
XLogP1.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61239803
N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43096146
3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115707228
2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81375206
3-[1-(2-methylphenyl)ethylamino]propanoic acid
CID 43087225
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81374136
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one
CID 109018185
1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 113374915
3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109018344
(1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81374023
1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 82974185

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[1-(2-methylphenyl)ethylamino]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[1-(2-methylphenyl)ethylamino]ethyl]piperazin-1-yl]ethanone (CID 75382751) is 1-[4-[2-[1-(2-methylphenyl)ethylamino]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[1-(2-methylphenyl)ethylamino]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[1-(2-methylphenyl)ethylamino]ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCNC(C)c2ccccc2C)CC1.
What is the InChIKey of 1-[4-[2-[1-(2-methylphenyl)ethylamino]ethyl]piperazin-1-yl]ethanone?
The InChIKey is BJGVSEKWAZNOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-6-4-5-7-17(14)15(2)18-8-9-19-10-12-20(13-11-19)16(3)21/h4-7,15,18H,8-13H2,1-3H3.
What are the key properties of 1-[4-[2-[1-(2-methylphenyl)ethylamino]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[1-(2-methylphenyl)ethylamino]ethyl]piperazin-1-yl]ethanone has a molecular weight of 289.42 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[1-(2-methylphenyl)ethylamino]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 75382751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).