(3-hydroxynaphthalen-2-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

C21H20N2O3 — CID 24687954

IUPAC(3-hydroxynaphthalen-2-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2cc1O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C21H20N2O3/c24-19-8-4-3-7-18(19)22-9-11-23(12-10-22)21(26)17-13-15-5-1-2-6-16(15)14-20(17)25/h1-8,13-14,24-25H,9-12H2
InChIKeyAPCINOGFYPSHLL-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.21
Rot. Bonds2

About (3-hydroxynaphthalen-2-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

(3-hydroxynaphthalen-2-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 24687954) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (3-hydroxynaphthalen-2-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxynaphthalen-2-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID24687954
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(3-hydroxynaphthalen-2-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2cc1O)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C21H20N2O3/c24-19-8-4-3-7-18(19)22-9-11-23(12-10-22)21(26)17-13-15-5-1-2-6-16(15)14-20(17)25/h1-8,13-14,24-25H,9-12H2
InChIKeyAPCINOGFYPSHLL-UHFFFAOYSA-N
XLogP3.21
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-hydroxynaphthalen-2-yl)-[4-(2-hydroxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of (3-hydroxynaphthalen-2-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-hydroxynaphthalen-2-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (CID 24687954) is (3-hydroxynaphthalen-2-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-hydroxynaphthalen-2-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-hydroxynaphthalen-2-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is O=C(c1cc2ccccc2cc1O)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of (3-hydroxynaphthalen-2-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is APCINOGFYPSHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-19-8-4-3-7-18(19)22-9-11-23(12-10-22)21(26)17-13-15-5-1-2-6-16(15)14-20(17)25/h1-8,13-14,24-25H,9-12H2.
What are the key properties of (3-hydroxynaphthalen-2-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
(3-hydroxynaphthalen-2-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 348.40 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxynaphthalen-2-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 24687954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).