4-[1-hydroxy-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutyl]phenol

C23H31N3O2 — CID 3040922

IUPAC4-[1-hydroxy-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutyl]phenol
SMILESCC1(C)C(N2CCN(c3ccccn3)CC2)C(C)(C)C1(O)c1ccc(O)cc1
InChIInChI=1S/C23H31N3O2/c1-21(2)20(22(3,4)23(21,28)17-8-10-18(27)11-9-17)26-15-13-25(14-16-26)19-7-5-6-12-24-19/h5-12,20,27-28H,13-16H2,1-4H3
InChIKeyOKMSTVKCHDVYTP-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.23
Rot. Bonds3

About 4-[1-hydroxy-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutyl]phenol

4-[1-hydroxy-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutyl]phenol (PubChem CID 3040922) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-[1-hydroxy-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutyl]phenol.

Molecular Properties

Compound Name4-[1-hydroxy-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutyl]phenol
PubChem CID3040922
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-[1-hydroxy-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutyl]phenol
SMILESCC1(C)C(N2CCN(c3ccccn3)CC2)C(C)(C)C1(O)c1ccc(O)cc1
InChIInChI=1S/C23H31N3O2/c1-21(2)20(22(3,4)23(21,28)17-8-10-18(27)11-9-17)26-15-13-25(14-16-26)19-7-5-6-12-24-19/h5-12,20,27-28H,13-16H2,1-4H3
InChIKeyOKMSTVKCHDVYTP-UHFFFAOYSA-N
XLogP3.23
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[1-hydroxy-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutyl]phenol 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

8-Hydroxymirtazapine
CID 11500131
2-[(E)-{[4-(pyridin-2-yl)piperazin-1-yl]imino}methyl]phenol
CID 135519103
cis-1-(4-(4-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10383331
4-[4-Phenyl-6-(propyl-pyridin-2-ylmethyl-amino)-pyridin-2-yl]-phenol
CID 135529495
4-[(E)-{[4-(pyridin-2-yl)piperazin-1-yl]imino}methyl]phenol
CID 135548528
O-Desmethyl Pyrilamine
CID 14076877
7-(Propyl(2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 46919028
2-[(E)-N-hydroxy-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]-4-methylphenol
CID 135407844
4-[6-(Ethyl-pyridin-4-ylmethyl-amino)-4-phenyl-pyridin-2-yl]-2-methyl-phenol
CID 135987666
2-Methyl-4-[4-phenyl-6-(propyl-pyridin-2-ylmethyl-amino)-pyridin-2-yl]-phenol
CID 135987672
3-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
CID 6886423
4-[2-Amino-5-[3-(dimethylamino) phenyl]-3-pyridyl]phenol
CID 24821076

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutyl]phenol?
The IUPAC name of 4-[1-hydroxy-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutyl]phenol (CID 3040922) is 4-[1-hydroxy-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutyl]phenol.
What is the SMILES notation for 4-[1-hydroxy-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutyl]phenol?
The canonical SMILES for 4-[1-hydroxy-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutyl]phenol is CC1(C)C(N2CCN(c3ccccn3)CC2)C(C)(C)C1(O)c1ccc(O)cc1.
What is the InChIKey of 4-[1-hydroxy-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutyl]phenol?
The InChIKey is OKMSTVKCHDVYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-21(2)20(22(3,4)23(21,28)17-8-10-18(27)11-9-17)26-15-13-25(14-16-26)19-7-5-6-12-24-19/h5-12,20,27-28H,13-16H2,1-4H3.
What are the key properties of 4-[1-hydroxy-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutyl]phenol?
4-[1-hydroxy-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutyl]phenol has a molecular weight of 381.52 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutyl]phenol is sourced from PubChem (CID 3040922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).