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

C13H18N2O4 — CID 43416246

IUPAC(2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(O)cc1O)N1CCN(CCO)CC1
InChIInChI=1S/C13H18N2O4/c16-8-7-14-3-5-15(6-4-14)13(19)11-2-1-10(17)9-12(11)18/h1-2,9,16-18H,3-8H2
InChIKeyLATAACYAVBABHE-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.15
Rot. Bonds3

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

(2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 43416246) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID43416246
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(O)cc1O)N1CCN(CCO)CC1
InChIInChI=1S/C13H18N2O4/c16-8-7-14-3-5-15(6-4-14)13(19)11-2-1-10(17)9-12(11)18/h1-2,9,16-18H,3-8H2
InChIKeyLATAACYAVBABHE-UHFFFAOYSA-N
XLogP-0.15
TPSA84.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-5-hydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 106501434
(2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 114343978
(4-fluoro-2-hydroxyphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107015715
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone
CID 63308508
[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674348
[4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750501
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 107721319
(2,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81103134
[4-(2-bromoethyl)piperazin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone
CID 106503094
(2,6-dihydroxyphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107689707
(5-bromo-2-iodophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43391591
(2-amino-5-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55083080

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 43416246) is (2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(c1ccc(O)cc1O)N1CCN(CCO)CC1.
What is the InChIKey of (2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is LATAACYAVBABHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-8-7-14-3-5-15(6-4-14)13(19)11-2-1-10(17)9-12(11)18/h1-2,9,16-18H,3-8H2.
What are the key properties of (2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 266.30 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 43416246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).