2-(3-tert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylethanone

C16H24N2O2 — CID 22104765

IUPAC2-(3-tert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylethanone
SMILESCC(C)(C)c1cc(CC(=O)N2CCNCC2)ccc1O
InChIInChI=1S/C16H24N2O2/c1-16(2,3)13-10-12(4-5-14(13)19)11-15(20)18-8-6-17-7-9-18/h4-5,10,17,19H,6-9,11H2,1-3H3
InChIKeyIFKAUWVHBXWVTO-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.66
Rot. Bonds2

About 2-(3-tert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylethanone

2-(3-tert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylethanone (PubChem CID 22104765) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(3-tert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(3-tert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylethanone
PubChem CID22104765
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(3-tert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylethanone
SMILESCC(C)(C)c1cc(CC(=O)N2CCNCC2)ccc1O
InChIInChI=1S/C16H24N2O2/c1-16(2,3)13-10-12(4-5-14(13)19)11-15(20)18-8-6-17-7-9-18/h4-5,10,17,19H,6-9,11H2,1-3H3
InChIKeyIFKAUWVHBXWVTO-UHFFFAOYSA-N
XLogP1.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone
CID 82511840
1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82132544
2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone
CID 115104675
2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone
CID 141462350
2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone
CID 82132922
2-(3-bromo-4-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82135497
2-(3-iodophenyl)-1-piperazin-1-ylethanone
CID 119400955
2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82134931
2-(3-iodophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119400954
2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119403589
(3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone
CID 14300314
2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone
CID 82283489

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(3-tert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylethanone (CID 22104765) is 2-(3-tert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(3-tert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(3-tert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylethanone is CC(C)(C)c1cc(CC(=O)N2CCNCC2)ccc1O.
What is the InChIKey of 2-(3-tert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylethanone?
The InChIKey is IFKAUWVHBXWVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)13-10-12(4-5-14(13)19)11-15(20)18-8-6-17-7-9-18/h4-5,10,17,19H,6-9,11H2,1-3H3.
What are the key properties of 2-(3-tert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylethanone?
2-(3-tert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylethanone has a molecular weight of 276.38 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 22104765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).