1-[4-(4-tert-butylphenyl)-2-(2-hydroxypropan-2-yl)-6-methylpiperazin-1-yl]ethanone

C20H32N2O2 — CID 129268486

IUPAC1-[4-(4-tert-butylphenyl)-2-(2-hydroxypropan-2-yl)-6-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1C(C)CN(c2ccc(C(C)(C)C)cc2)CC1C(C)(C)O
InChIInChI=1S/C20H32N2O2/c1-14-12-21(13-18(20(6,7)24)22(14)15(2)23)17-10-8-16(9-11-17)19(3,4)5/h8-11,14,18,24H,12-13H2,1-7H3
InChIKeySCRMUEXWDJPCLD-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.18
Rot. Bonds2

About 1-[4-(4-tert-butylphenyl)-2-(2-hydroxypropan-2-yl)-6-methylpiperazin-1-yl]ethanone

1-[4-(4-tert-butylphenyl)-2-(2-hydroxypropan-2-yl)-6-methylpiperazin-1-yl]ethanone (PubChem CID 129268486) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[4-(4-tert-butylphenyl)-2-(2-hydroxypropan-2-yl)-6-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-tert-butylphenyl)-2-(2-hydroxypropan-2-yl)-6-methylpiperazin-1-yl]ethanone
PubChem CID129268486
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-[4-(4-tert-butylphenyl)-2-(2-hydroxypropan-2-yl)-6-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1C(C)CN(c2ccc(C(C)(C)C)cc2)CC1C(C)(C)O
InChIInChI=1S/C20H32N2O2/c1-14-12-21(13-18(20(6,7)24)22(14)15(2)23)17-10-8-16(9-11-17)19(3,4)5/h8-11,14,18,24H,12-13H2,1-7H3
InChIKeySCRMUEXWDJPCLD-UHFFFAOYSA-N
XLogP3.18
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butylphenyl)-N,2,6-trimethylpiperazine-1-carboxamide
CID 129258257
tert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate
CID 129258263
(2S,6R)-1-but-1-en-2-yl-4-(4-tert-butylphenyl)-2,6-dimethylpiperazine
CID 129258358
1-[7-(4-tert-butylphenyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone
CID 176615864
[(2S,6R)-4-(4-tert-butylphenyl)-2,6-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 129268299
1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone
CID 20590526
2-methyl-2-[4-(3-methylazetidin-1-yl)phenyl]propanoic acid
CID 80555820
[(2R,6S)-4-(4-ethylphenyl)-2,6-dimethylpiperazin-1-yl]-phenylmethanone
CID 129268177
[2,6-dimethyl-4-(4-sulfanylphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 126518368
2,6-dimethyl-4-(4-nitrophenyl)piperazine-1-carboxylic acid
CID 22134719
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-hydroxy-2-methylpropanamide
CID 99834501
1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one
CID 70667423

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylphenyl)-2-(2-hydroxypropan-2-yl)-6-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-tert-butylphenyl)-2-(2-hydroxypropan-2-yl)-6-methylpiperazin-1-yl]ethanone (CID 129268486) is 1-[4-(4-tert-butylphenyl)-2-(2-hydroxypropan-2-yl)-6-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-tert-butylphenyl)-2-(2-hydroxypropan-2-yl)-6-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-tert-butylphenyl)-2-(2-hydroxypropan-2-yl)-6-methylpiperazin-1-yl]ethanone is CC(=O)N1C(C)CN(c2ccc(C(C)(C)C)cc2)CC1C(C)(C)O.
What is the InChIKey of 1-[4-(4-tert-butylphenyl)-2-(2-hydroxypropan-2-yl)-6-methylpiperazin-1-yl]ethanone?
The InChIKey is SCRMUEXWDJPCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-14-12-21(13-18(20(6,7)24)22(14)15(2)23)17-10-8-16(9-11-17)19(3,4)5/h8-11,14,18,24H,12-13H2,1-7H3.
What are the key properties of 1-[4-(4-tert-butylphenyl)-2-(2-hydroxypropan-2-yl)-6-methylpiperazin-1-yl]ethanone?
1-[4-(4-tert-butylphenyl)-2-(2-hydroxypropan-2-yl)-6-methylpiperazin-1-yl]ethanone has a molecular weight of 332.49 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylphenyl)-2-(2-hydroxypropan-2-yl)-6-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 129268486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).