[4-(2-hydroxyethyl)piperazin-1-yl]-(4-phenylphenyl)methanethione

C19H22N2OS — CID 848267

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-(4-phenylphenyl)methanethione
SMILESOCCN1CCN(C(=S)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C19H22N2OS/c22-15-14-20-10-12-21(13-11-20)19(23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,22H,10-15H2
InChIKeyBIMYXEOPJWEXBJ-UHFFFAOYSA-N
MW326.47 g/mol
LogP2.64
Rot. Bonds4

About [4-(2-hydroxyethyl)piperazin-1-yl]-(4-phenylphenyl)methanethione

[4-(2-hydroxyethyl)piperazin-1-yl]-(4-phenylphenyl)methanethione (PubChem CID 848267) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-(4-phenylphenyl)methanethione.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-(4-phenylphenyl)methanethione
PubChem CID848267
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-(4-phenylphenyl)methanethione
SMILESOCCN1CCN(C(=S)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C19H22N2OS/c22-15-14-20-10-12-21(13-11-20)19(23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,22H,10-15H2
InChIKeyBIMYXEOPJWEXBJ-UHFFFAOYSA-N
XLogP2.64
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [4-(2-hydroxyethyl)piperazin-1-yl]-(4-phenylphenyl)methanethione 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 [4-(2-hydroxyethyl)piperazin-1-yl]-(4-phenylphenyl)methanethione?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(4-phenylphenyl)methanethione (CID 848267) is [4-(2-hydroxyethyl)piperazin-1-yl]-(4-phenylphenyl)methanethione.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-(4-phenylphenyl)methanethione?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-(4-phenylphenyl)methanethione is OCCN1CCN(C(=S)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-(4-phenylphenyl)methanethione?
The InChIKey is BIMYXEOPJWEXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c22-15-14-20-10-12-21(13-11-20)19(23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,22H,10-15H2.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-(4-phenylphenyl)methanethione?
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-phenylphenyl)methanethione has a molecular weight of 326.47 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-(4-phenylphenyl)methanethione is sourced from PubChem (CID 848267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).