(3-tert-butyl-4-hydroxy-5-methylphenyl)-piperazin-1-ylmethanone

C16H24N2O2 — CID 22104766

IUPAC(3-tert-butyl-4-hydroxy-5-methylphenyl)-piperazin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCNCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C16H24N2O2/c1-11-9-12(10-13(14(11)19)16(2,3)4)15(20)18-7-5-17-6-8-18/h9-10,17,19H,5-8H2,1-4H3
InChIKeyCKSBPZOAPRACNV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.04
Rot. Bonds1

About (3-tert-butyl-4-hydroxy-5-methylphenyl)-piperazin-1-ylmethanone

(3-tert-butyl-4-hydroxy-5-methylphenyl)-piperazin-1-ylmethanone (PubChem CID 22104766) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3-tert-butyl-4-hydroxy-5-methylphenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(3-tert-butyl-4-hydroxy-5-methylphenyl)-piperazin-1-ylmethanone
PubChem CID22104766
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(3-tert-butyl-4-hydroxy-5-methylphenyl)-piperazin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCNCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C16H24N2O2/c1-11-9-12(10-13(14(11)19)16(2,3)4)15(20)18-7-5-17-6-8-18/h9-10,17,19H,5-8H2,1-4H3
InChIKeyCKSBPZOAPRACNV-UHFFFAOYSA-N
XLogP2.04
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone
CID 14300314
3,5-bis(piperazine-1-carbonyl)benzoic acid
CID 90342459
2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 22104667
(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119032534
(4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone
CID 82266519
(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone
CID 82507134
(3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403756
(3-bromo-4-methylphenyl)-piperazin-1-ylmethanone
CID 81469486
(3,5-ditert-butyl-4-hydroxyphenyl)-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 99946884
piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone
CID 82130774
6-hydroxy-4-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24699091
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-4-hydroxy-5-methylphenyl)-piperazin-1-ylmethanone?
The IUPAC name of (3-tert-butyl-4-hydroxy-5-methylphenyl)-piperazin-1-ylmethanone (CID 22104766) is (3-tert-butyl-4-hydroxy-5-methylphenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (3-tert-butyl-4-hydroxy-5-methylphenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (3-tert-butyl-4-hydroxy-5-methylphenyl)-piperazin-1-ylmethanone is Cc1cc(C(=O)N2CCNCC2)cc(C(C)(C)C)c1O.
What is the InChIKey of (3-tert-butyl-4-hydroxy-5-methylphenyl)-piperazin-1-ylmethanone?
The InChIKey is CKSBPZOAPRACNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-9-12(10-13(14(11)19)16(2,3)4)15(20)18-7-5-17-6-8-18/h9-10,17,19H,5-8H2,1-4H3.
What are the key properties of (3-tert-butyl-4-hydroxy-5-methylphenyl)-piperazin-1-ylmethanone?
(3-tert-butyl-4-hydroxy-5-methylphenyl)-piperazin-1-ylmethanone has a molecular weight of 276.38 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-4-hydroxy-5-methylphenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 22104766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).