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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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).