N-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine

C14H20BrN3O2 — CID 82865025

IUPACN-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1Nc1ccc([N+](=O)[O-])c(Br)c1
InChIInChI=1S/C14H20BrN3O2/c1-9-8-17(3)10(2)6-13(9)16-11-4-5-14(18(19)20)12(15)7-11/h4-5,7,9-10,13,16H,6,8H2,1-3H3
InChIKeyIXSIVEOMNGABIO-UHFFFAOYSA-N
MW342.24 g/mol
LogP3.50
Rot. Bonds3

About N-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine

N-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine (PubChem CID 82865025) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is N-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
PubChem CID82865025
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC NameN-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1Nc1ccc([N+](=O)[O-])c(Br)c1
InChIInChI=1S/C14H20BrN3O2/c1-9-8-17(3)10(2)6-13(9)16-11-4-5-14(18(19)20)12(15)7-11/h4-5,7,9-10,13,16H,6,8H2,1-3H3
InChIKeyIXSIVEOMNGABIO-UHFFFAOYSA-N
XLogP3.50
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43733213
1,2,5-trimethyl-N-(2-nitrophenyl)piperidin-4-amine
CID 43718239
N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 65435866
3-bromo-N-(2,3-dimethylcyclohexyl)-4-nitroaniline
CID 82862272
N-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 62098099
1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine
CID 43718577
1-N-(3-bromo-4-nitrophenyl)cyclobutane-1,3-diamine
CID 82864711
N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466441
N-(4-tert-butylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665344
N-(3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665401
2-chloro-N-methyl-5-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide
CID 60936196
N-(3-bromo-4-nitrophenyl)cycloheptanamine
CID 82864215

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine (CID 82865025) is N-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine is CC1CN(C)C(C)CC1Nc1ccc([N+](=O)[O-])c(Br)c1.
What is the InChIKey of N-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is IXSIVEOMNGABIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-9-8-17(3)10(2)6-13(9)16-11-4-5-14(18(19)20)12(15)7-11/h4-5,7,9-10,13,16H,6,8H2,1-3H3.
What are the key properties of N-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine?
N-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 342.24 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 82865025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).