5-(4-methylpiperazin-1-yl)-2-nitrophenol

C11H15N3O3 — CID 89494429

IUPAC5-(4-methylpiperazin-1-yl)-2-nitrophenol
SMILESCN1CCN(c2ccc([N+](=O)[O-])c(O)c2)CC1
InChIInChI=1S/C11H15N3O3/c1-12-4-6-13(7-5-12)9-2-3-10(14(16)17)11(15)8-9/h2-3,8,15H,4-7H2,1H3
InChIKeyBLMXJZMAOSBIQS-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.05
Rot. Bonds2

About 5-(4-methylpiperazin-1-yl)-2-nitrophenol

5-(4-methylpiperazin-1-yl)-2-nitrophenol (PubChem CID 89494429) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-2-nitrophenol.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-2-nitrophenol
PubChem CID89494429
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-(4-methylpiperazin-1-yl)-2-nitrophenol
SMILESCN1CCN(c2ccc([N+](=O)[O-])c(O)c2)CC1
InChIInChI=1S/C11H15N3O3/c1-12-4-6-13(7-5-12)9-2-3-10(14(16)17)11(15)8-9/h2-3,8,15H,4-7H2,1H3
InChIKeyBLMXJZMAOSBIQS-UHFFFAOYSA-N
XLogP1.05
TPSA69.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(Bis(2-hydroxyethyl)amino)-5-nitrophenol
CID 40411
5-Morpholino-2-nitrophenol
CID 2799399
1-(3-Hydroxyphenyl)-4-propylpiperazine
CID 22397846
2-Nitro-5-(1,4-thiazinan-4-yl)phenol
CID 2799398
5-Diethylamino-2-nitrosophenol hydrochloride
CID 33253
2-[4-(4-Nitrophenyl)piperazin-1-yl]phenol
CID 5033608
5-(Diethylamino)-2-nitrosophenol
CID 22825
HC Yellow No. 11
CID 12537917
3-[(2S)-2,4-dimethylpiperazin-1-yl]phenol
CID 54582146
2-Nitro-5-piperidinophenol
CID 2774482
3-(4,4-Dimethylpiperazin-4-ium-1-yl)phenol iodide
CID 9996974
3-(4-Methylpiperazin-1-yl)phenol
CID 11011455

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-2-nitrophenol?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-2-nitrophenol (CID 89494429) is 5-(4-methylpiperazin-1-yl)-2-nitrophenol.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-2-nitrophenol?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-2-nitrophenol is CN1CCN(c2ccc([N+](=O)[O-])c(O)c2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-2-nitrophenol?
The InChIKey is BLMXJZMAOSBIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-12-4-6-13(7-5-12)9-2-3-10(14(16)17)11(15)8-9/h2-3,8,15H,4-7H2,1H3.
What are the key properties of 5-(4-methylpiperazin-1-yl)-2-nitrophenol?
5-(4-methylpiperazin-1-yl)-2-nitrophenol has a molecular weight of 237.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-2-nitrophenol is sourced from PubChem (CID 89494429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).