4-methyl-2-nitro-6-piperazin-1-ylphenol

C11H15N3O3 — CID 4738823

IUPAC4-methyl-2-nitro-6-piperazin-1-ylphenol
SMILESCc1cc(N2CCNCC2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-8-6-9(13-4-2-12-3-5-13)11(15)10(7-8)14(16)17/h6-7,12,15H,2-5H2,1H3
InChIKeyUZACWLCOGIIPLO-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.02
Rot. Bonds2

About 4-methyl-2-nitro-6-piperazin-1-ylphenol

4-methyl-2-nitro-6-piperazin-1-ylphenol (PubChem CID 4738823) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-methyl-2-nitro-6-piperazin-1-ylphenol.

Molecular Properties

Compound Name4-methyl-2-nitro-6-piperazin-1-ylphenol
PubChem CID4738823
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-methyl-2-nitro-6-piperazin-1-ylphenol
SMILESCc1cc(N2CCNCC2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-8-6-9(13-4-2-12-3-5-13)11(15)10(7-8)14(16)17/h6-7,12,15H,2-5H2,1H3
InChIKeyUZACWLCOGIIPLO-UHFFFAOYSA-N
XLogP1.02
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
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

1-(2,5-dimethyl-3-nitrophenyl)piperazine
CID 4738795
4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol
CID 102312654
1-[2,4-dinitro-5-(1,4,7,10-tetrazacyclododec-1-yl)phenyl]-1,4,7,10-tetrazacyclododecane
CID 11713183
5-methyl-3-nitrobenzene-1,2-diol
CID 3976897
1-(2,5-dichloro-4-nitrophenyl)piperazine
CID 165124690
1-(2,4-dimethoxy-5-nitrophenyl)piperazine
CID 4738746
1-(4-fluoro-2-nitrophenyl)piperazine
CID 2737435
1-(4-methylsulfonyl-2-nitrophenyl)piperazine
CID 4599085
1-(2-nitro-4-propan-2-ylphenyl)piperazine
CID 146771936
1-[5-(furan-2-yl)-4-methyl-2-nitrophenyl]piperazine
CID 168527152
1-(2-nitro-6-piperazin-1-ylphenyl)ethanone
CID 126662095
1-(3-methyl-4-nitrophenyl)-1,4-diazepane
CID 13007953

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-nitro-6-piperazin-1-ylphenol?
The IUPAC name of 4-methyl-2-nitro-6-piperazin-1-ylphenol (CID 4738823) is 4-methyl-2-nitro-6-piperazin-1-ylphenol.
What is the SMILES notation for 4-methyl-2-nitro-6-piperazin-1-ylphenol?
The canonical SMILES for 4-methyl-2-nitro-6-piperazin-1-ylphenol is Cc1cc(N2CCNCC2)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methyl-2-nitro-6-piperazin-1-ylphenol?
The InChIKey is UZACWLCOGIIPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8-6-9(13-4-2-12-3-5-13)11(15)10(7-8)14(16)17/h6-7,12,15H,2-5H2,1H3.
What are the key properties of 4-methyl-2-nitro-6-piperazin-1-ylphenol?
4-methyl-2-nitro-6-piperazin-1-ylphenol has a molecular weight of 237.26 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-nitro-6-piperazin-1-ylphenol is sourced from PubChem (CID 4738823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).