2-methyl-4-[2-(4-phenylpiperazin-1-yl)ethoxy]-5-propan-2-ylphenol;hydrochloride

C22H31ClN2O2 — CID 3025523

IUPAC2-methyl-4-[2-(4-phenylpiperazin-1-yl)ethoxy]-5-propan-2-ylphenol;hydrochloride
SMILESCc1cc(OCCN2CCN(c3ccccc3)CC2)c(C(C)C)cc1O.Cl
InChIInChI=1S/C22H30N2O2.ClH/c1-17(2)20-16-21(25)18(3)15-22(20)26-14-13-23-9-11-24(12-10-23)19-7-5-4-6-8-19;/h4-8,15-17,25H,9-14H2,1-3H3;1H
InChIKeyNWYQRBAQNWQSBL-UHFFFAOYSA-N
MW390.96 g/mol
LogP4.45
Rot. Bonds6

About 2-methyl-4-[2-(4-phenylpiperazin-1-yl)ethoxy]-5-propan-2-ylphenol;hydrochloride

2-methyl-4-[2-(4-phenylpiperazin-1-yl)ethoxy]-5-propan-2-ylphenol;hydrochloride (PubChem CID 3025523) has the molecular formula C22H31ClN2O2 and a molecular weight of 390.96 g/mol. Its IUPAC name is 2-methyl-4-[2-(4-phenylpiperazin-1-yl)ethoxy]-5-propan-2-ylphenol;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-[2-(4-phenylpiperazin-1-yl)ethoxy]-5-propan-2-ylphenol;hydrochloride
PubChem CID3025523
Molecular FormulaC22H31ClN2O2
Molecular Weight390.96 g/mol
Exact Mass390.21
IUPAC Name2-methyl-4-[2-(4-phenylpiperazin-1-yl)ethoxy]-5-propan-2-ylphenol;hydrochloride
SMILESCc1cc(OCCN2CCN(c3ccccc3)CC2)c(C(C)C)cc1O.Cl
InChIInChI=1S/C22H30N2O2.ClH/c1-17(2)20-16-21(25)18(3)15-22(20)26-14-13-23-9-11-24(12-10-23)19-7-5-4-6-8-19;/h4-8,15-17,25H,9-14H2,1-3H3;1H
InChIKeyNWYQRBAQNWQSBL-UHFFFAOYSA-N
XLogP4.45
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-[2-(4-phenylpiperazin-1-yl)ethoxy]-5-propan-2-ylphenol;hydrochloride 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 2-methyl-4-[2-(4-phenylpiperazin-1-yl)ethoxy]-5-propan-2-ylphenol;hydrochloride?
The IUPAC name of 2-methyl-4-[2-(4-phenylpiperazin-1-yl)ethoxy]-5-propan-2-ylphenol;hydrochloride (CID 3025523) is 2-methyl-4-[2-(4-phenylpiperazin-1-yl)ethoxy]-5-propan-2-ylphenol;hydrochloride.
What is the SMILES notation for 2-methyl-4-[2-(4-phenylpiperazin-1-yl)ethoxy]-5-propan-2-ylphenol;hydrochloride?
The canonical SMILES for 2-methyl-4-[2-(4-phenylpiperazin-1-yl)ethoxy]-5-propan-2-ylphenol;hydrochloride is Cc1cc(OCCN2CCN(c3ccccc3)CC2)c(C(C)C)cc1O.Cl.
What is the InChIKey of 2-methyl-4-[2-(4-phenylpiperazin-1-yl)ethoxy]-5-propan-2-ylphenol;hydrochloride?
The InChIKey is NWYQRBAQNWQSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2.ClH/c1-17(2)20-16-21(25)18(3)15-22(20)26-14-13-23-9-11-24(12-10-23)19-7-5-4-6-8-19;/h4-8,15-17,25H,9-14H2,1-3H3;1H.
What are the key properties of 2-methyl-4-[2-(4-phenylpiperazin-1-yl)ethoxy]-5-propan-2-ylphenol;hydrochloride?
2-methyl-4-[2-(4-phenylpiperazin-1-yl)ethoxy]-5-propan-2-ylphenol;hydrochloride has a molecular weight of 390.96 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(4-phenylpiperazin-1-yl)ethoxy]-5-propan-2-ylphenol;hydrochloride is sourced from PubChem (CID 3025523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).