(3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone

C19H30N2O2 — CID 14300314

IUPAC(3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone
SMILESCC(C)(C)c1cc(C(=O)N2CCNCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H30N2O2/c1-18(2,3)14-11-13(12-15(16(14)22)19(4,5)6)17(23)21-9-7-20-8-10-21/h11-12,20,22H,7-10H2,1-6H3
InChIKeyCCHIUDWAGIDUCN-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.03
Rot. Bonds1

About (3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone

(3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone (PubChem CID 14300314) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone
PubChem CID14300314
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone
SMILESCC(C)(C)c1cc(C(=O)N2CCNCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H30N2O2/c1-18(2,3)14-11-13(12-15(16(14)22)19(4,5)6)17(23)21-9-7-20-8-10-21/h11-12,20,22H,7-10H2,1-6H3
InChIKeyCCHIUDWAGIDUCN-UHFFFAOYSA-N
XLogP3.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-tert-butyl-4-hydroxy-5-methylphenyl)-piperazin-1-ylmethanone
CID 22104766
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
(3,5-ditert-butyl-4-hydroxyphenyl)-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 99946884
(3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 112768640
6-hydroxy-4-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24699091
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone
CID 82507134
2-[4-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoic acid
CID 22399088
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 5230036

Frequently Asked Questions

What is the IUPAC name of (3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone?
The IUPAC name of (3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone (CID 14300314) is (3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone is CC(C)(C)c1cc(C(=O)N2CCNCC2)cc(C(C)(C)C)c1O.
What is the InChIKey of (3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone?
The InChIKey is CCHIUDWAGIDUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-18(2,3)14-11-13(12-15(16(14)22)19(4,5)6)17(23)21-9-7-20-8-10-21/h11-12,20,22H,7-10H2,1-6H3.
What are the key properties of (3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone?
(3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone has a molecular weight of 318.46 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 14300314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).