[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone

C15H23N3O3 — CID 107721319

IUPAC[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone
SMILESCC(C)(CN)N1CCN(C(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C15H23N3O3/c1-15(2,10-16)18-7-5-17(6-8-18)14(21)12-4-3-11(19)9-13(12)20/h3-4,9,19-20H,5-8,10,16H2,1-2H3
InChIKeySENZMISLVWSWCF-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.59
Rot. Bonds3

About [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone

[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone (PubChem CID 107721319) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone
PubChem CID107721319
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone
SMILESCC(C)(CN)N1CCN(C(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C15H23N3O3/c1-15(2,10-16)18-7-5-17(6-8-18)14(21)12-4-3-11(19)9-13(12)20/h3-4,9,19-20H,5-8,10,16H2,1-2H3
InChIKeySENZMISLVWSWCF-UHFFFAOYSA-N
XLogP0.59
TPSA90.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43416246
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone
CID 63341086
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81479699
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 63340998
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 63340870
(2,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81103134
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 63341043
2-[4-(2,4-dihydroxybenzoyl)piperazin-1-yl]propanenitrile
CID 107722008
3-[1-(2,4-dihydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 62218166
(2,4-dihydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 103892619
[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674348
[4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 79736339

Frequently Asked Questions

What is the IUPAC name of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The IUPAC name of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone (CID 107721319) is [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone.
What is the SMILES notation for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The canonical SMILES for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone is CC(C)(CN)N1CCN(C(=O)c2ccc(O)cc2O)CC1.
What is the InChIKey of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone?
The InChIKey is SENZMISLVWSWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,10-16)18-7-5-17(6-8-18)14(21)12-4-3-11(19)9-13(12)20/h3-4,9,19-20H,5-8,10,16H2,1-2H3.
What are the key properties of [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone?
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone has a molecular weight of 293.37 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 107721319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).