1-(4-bromo-2-methyl-6-nitrophenyl)piperidine

C12H15BrN2O2 — CID 151284245

IUPAC1-(4-bromo-2-methyl-6-nitrophenyl)piperidine
SMILESCc1cc(Br)cc([N+](=O)[O-])c1N1CCCCC1
InChIInChI=1S/C12H15BrN2O2/c1-9-7-10(13)8-11(15(16)17)12(9)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3
InChIKeyNZAUJFAGBIEMEE-UHFFFAOYSA-N
MW299.17 g/mol
LogP3.66
Rot. Bonds2

About 1-(4-bromo-2-methyl-6-nitrophenyl)piperidine

1-(4-bromo-2-methyl-6-nitrophenyl)piperidine (PubChem CID 151284245) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 1-(4-bromo-2-methyl-6-nitrophenyl)piperidine.

Molecular Properties

Compound Name1-(4-bromo-2-methyl-6-nitrophenyl)piperidine
PubChem CID151284245
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name1-(4-bromo-2-methyl-6-nitrophenyl)piperidine
SMILESCc1cc(Br)cc([N+](=O)[O-])c1N1CCCCC1
InChIInChI=1S/C12H15BrN2O2/c1-9-7-10(13)8-11(15(16)17)12(9)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3
InChIKeyNZAUJFAGBIEMEE-UHFFFAOYSA-N
XLogP3.66
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-bromo-2-methyl-6-nitrophenyl)piperidine 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

1-(2-bromo-3,4-dimethyl-6-nitrophenyl)pyrrolidine
CID 168513229
1-(3,4-dimethyl-2,6-dinitrophenyl)piperidine
CID 12767694
1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine
CID 139034981
1-(2-bromo-3,4-difluoro-6-nitrophenyl)pyrrolidine
CID 168515363
4-amino-1-(4-bromo-2-methyl-6-nitrophenyl)pyrrolidin-2-one
CID 168699881
1-(3-methyl-4-nitrophenyl)azepane
CID 23103808
4-(azepan-1-yl)-5,7-dinitro-2,1,3-benzoxadiazole
CID 2836575
3,5-dinitro-4-pyrrolidin-1-ylbenzoic acid
CID 12005642
5-bromo-1-ethyl-7-nitro-2,3-dihydroindole
CID 10564019
5'-bromo-1'-methyl-7'-nitrospiro[cyclohexane-1,3'-indole]-2'-one
CID 177197193
1-[2-bromo-6-nitro-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 168512262
(4-bromo-2-methyl-6-nitrophenyl)methanol
CID 118806075

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methyl-6-nitrophenyl)piperidine?
The IUPAC name of 1-(4-bromo-2-methyl-6-nitrophenyl)piperidine (CID 151284245) is 1-(4-bromo-2-methyl-6-nitrophenyl)piperidine.
What is the SMILES notation for 1-(4-bromo-2-methyl-6-nitrophenyl)piperidine?
The canonical SMILES for 1-(4-bromo-2-methyl-6-nitrophenyl)piperidine is Cc1cc(Br)cc([N+](=O)[O-])c1N1CCCCC1.
What is the InChIKey of 1-(4-bromo-2-methyl-6-nitrophenyl)piperidine?
The InChIKey is NZAUJFAGBIEMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-9-7-10(13)8-11(15(16)17)12(9)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3.
What are the key properties of 1-(4-bromo-2-methyl-6-nitrophenyl)piperidine?
1-(4-bromo-2-methyl-6-nitrophenyl)piperidine has a molecular weight of 299.17 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methyl-6-nitrophenyl)piperidine is sourced from PubChem (CID 151284245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).