2-(4-methylpiperazin-2-yl)phenol

C11H16N2O — CID 83445266

IUPAC2-(4-methylpiperazin-2-yl)phenol
SMILESCN1CCNC(c2ccccc2O)C1
InChIInChI=1S/C11H16N2O/c1-13-7-6-12-10(8-13)9-4-2-3-5-11(9)14/h2-5,10,12,14H,6-8H2,1H3
InChIKeyUBOJGWCGNHIVTP-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.97
Rot. Bonds1

About 2-(4-methylpiperazin-2-yl)phenol

2-(4-methylpiperazin-2-yl)phenol (PubChem CID 83445266) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(4-methylpiperazin-2-yl)phenol.

Molecular Properties

Compound Name2-(4-methylpiperazin-2-yl)phenol
PubChem CID83445266
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(4-methylpiperazin-2-yl)phenol
SMILESCN1CCNC(c2ccccc2O)C1
InChIInChI=1S/C11H16N2O/c1-13-7-6-12-10(8-13)9-4-2-3-5-11(9)14/h2-5,10,12,14H,6-8H2,1H3
InChIKeyUBOJGWCGNHIVTP-UHFFFAOYSA-N
XLogP0.97
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-2-yl)phenol
CID 55282316
1,7-dimethyl-3-(4-methylpiperazin-2-yl)indole
CID 82664533
4-(4-methylpiperazin-2-yl)aniline
CID 66617407
(3R)-1-methyl-3-phenyl-1,4-diazepane
CID 94983002
4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine
CID 116895613
3-(2,4-dimethoxy-3-methylphenyl)-1-methylpiperazine
CID 82297569
3-(2-methoxy-5-methylphenyl)-1-methylpiperazine
CID 82114400
1-methyl-3-(1-methylpyrrol-3-yl)piperazine
CID 82280749
2-(3-fluoro-1-methylpiperidin-4-yl)phenol
CID 83855916
1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine
CID 116881118
1-methyl-3-(2-methyl-1-benzofuran-3-yl)piperazine
CID 116987398
5-(2-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82286361

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-2-yl)phenol?
The IUPAC name of 2-(4-methylpiperazin-2-yl)phenol (CID 83445266) is 2-(4-methylpiperazin-2-yl)phenol.
What is the SMILES notation for 2-(4-methylpiperazin-2-yl)phenol?
The canonical SMILES for 2-(4-methylpiperazin-2-yl)phenol is CN1CCNC(c2ccccc2O)C1.
What is the InChIKey of 2-(4-methylpiperazin-2-yl)phenol?
The InChIKey is UBOJGWCGNHIVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13-7-6-12-10(8-13)9-4-2-3-5-11(9)14/h2-5,10,12,14H,6-8H2,1H3.
What are the key properties of 2-(4-methylpiperazin-2-yl)phenol?
2-(4-methylpiperazin-2-yl)phenol has a molecular weight of 192.26 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-2-yl)phenol is sourced from PubChem (CID 83445266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).