2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]-4-methylphenol

C15H24N2O — CID 65461102

IUPAC2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(C)N2CCNCC2(C)C)c1
InChIInChI=1S/C15H24N2O/c1-11-5-6-14(18)13(9-11)12(2)17-8-7-16-10-15(17,3)4/h5-6,9,12,16,18H,7-8,10H2,1-4H3
InChIKeyBOISOFJPRPKALX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.45
Rot. Bonds2

About 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]-4-methylphenol

2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]-4-methylphenol (PubChem CID 65461102) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]-4-methylphenol
PubChem CID65461102
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(C)N2CCNCC2(C)C)c1
InChIInChI=1S/C15H24N2O/c1-11-5-6-14(18)13(9-11)12(2)17-8-7-16-10-15(17,3)4/h5-6,9,12,16,18H,7-8,10H2,1-4H3
InChIKeyBOISOFJPRPKALX-UHFFFAOYSA-N
XLogP2.45
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]-4-methylphenol 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

4-methyl-2-[(1S)-1-piperazin-1-ylethyl]phenol
CID 93464487
2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]naphthalen-1-ol
CID 65462107
4-methyl-2-[1-[4-methyl-4-(methylamino)piperidin-1-yl]ethyl]phenol
CID 115304157
2-[1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-methylphenol
CID 66211761
2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-4-methylphenol
CID 82983849
5-methyl-2-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171294351
4-methyl-2-[(1S)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310034
2,2-dimethyl-1-(1-pyridin-2-ylethyl)piperazine
CID 65463534
2-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-4-methylphenol;dihydrochloride
CID 171288255
4-methyl-2-[1-(2-methylazepan-1-yl)ethyl]phenol
CID 82981091
4-methyl-2-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]phenol
CID 171288282
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-methylphenol
CID 171288260

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]-4-methylphenol?
The IUPAC name of 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]-4-methylphenol (CID 65461102) is 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]-4-methylphenol is Cc1ccc(O)c(C(C)N2CCNCC2(C)C)c1.
What is the InChIKey of 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]-4-methylphenol?
The InChIKey is BOISOFJPRPKALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-5-6-14(18)13(9-11)12(2)17-8-7-16-10-15(17,3)4/h5-6,9,12,16,18H,7-8,10H2,1-4H3.
What are the key properties of 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]-4-methylphenol?
2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]-4-methylphenol has a molecular weight of 248.37 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpiperazin-1-yl)ethyl]-4-methylphenol is sourced from PubChem (CID 65461102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).