1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one

C18H28N2O2 — CID 82264142

IUPAC1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
SMILESCC(CN1CCNCC1)C(=O)c1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C18H28N2O2/c1-13(12-20-9-7-19-8-10-20)17(22)15-11-14(18(2,3)4)5-6-16(15)21/h5-6,11,13,19,21H,7-10,12H2,1-4H3
InChIKeyGILCGGPKASNLMT-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.41
Rot. Bonds4

About 1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one

1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one (PubChem CID 82264142) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
PubChem CID82264142
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
SMILESCC(CN1CCNCC1)C(=O)c1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C18H28N2O2/c1-13(12-20-9-7-19-8-10-20)17(22)15-11-14(18(2,3)4)5-6-16(15)21/h5-6,11,13,19,21H,7-10,12H2,1-4H3
InChIKeyGILCGGPKASNLMT-UHFFFAOYSA-N
XLogP2.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82262939
2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one
CID 82262999
1-(5-chloro-2-methylsulfanylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82264911
1-(5-tert-butyl-2-methylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266176
1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 116924027
2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82263426
2-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-3-piperazin-1-ylpropan-1-one
CID 82263492
1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82267669
1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266429
2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one
CID 82263601
1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266405

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one (CID 82264142) is 1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one is CC(CN1CCNCC1)C(=O)c1cc(C(C)(C)C)ccc1O.
What is the InChIKey of 1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
The InChIKey is GILCGGPKASNLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(12-20-9-7-19-8-10-20)17(22)15-11-14(18(2,3)4)5-6-16(15)21/h5-6,11,13,19,21H,7-10,12H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one?
1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82264142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).