N-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine

C14H20BrN3O2 — CID 63637187

IUPACN-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine
SMILESCCCN(c1ccc([N+](=O)[O-])cc1Br)C1CCCNC1
InChIInChI=1S/C14H20BrN3O2/c1-2-8-17(12-4-3-7-16-10-12)14-6-5-11(18(19)20)9-13(14)15/h5-6,9,12,16H,2-4,7-8,10H2,1H3
InChIKeyOGBOXNGPSQBBSJ-UHFFFAOYSA-N
MW342.24 g/mol
LogP3.33
Rot. Bonds5

About N-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine

N-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine (PubChem CID 63637187) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine
PubChem CID63637187
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC NameN-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine
SMILESCCCN(c1ccc([N+](=O)[O-])cc1Br)C1CCCNC1
InChIInChI=1S/C14H20BrN3O2/c1-2-8-17(12-4-3-7-16-10-12)14-6-5-11(18(19)20)9-13(14)15/h5-6,9,12,16H,2-4,7-8,10H2,1H3
InChIKeyOGBOXNGPSQBBSJ-UHFFFAOYSA-N
XLogP3.33
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 53.33
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

5-nitro-2-[piperidin-3-yl(propyl)amino]benzonitrile
CID 63637009
N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine
CID 63636836
5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile
CID 63636490
N-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine
CID 103594171
N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine
CID 65343726
4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304533
N-[(3-bromo-5-nitrophenyl)methyl]-N-propylpiperidin-3-amine
CID 103351310
N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 63636312
2-bromo-N-cyclopropyl-4-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106640951
N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine
CID 107303774
N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine
CID 63638105
N-[(2-chloro-4-nitrophenyl)methyl]-N-methylpiperidin-3-amine
CID 55248936

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine (CID 63637187) is N-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine is CCCN(c1ccc([N+](=O)[O-])cc1Br)C1CCCNC1.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine?
The InChIKey is OGBOXNGPSQBBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-2-8-17(12-4-3-7-16-10-12)14-6-5-11(18(19)20)9-13(14)15/h5-6,9,12,16H,2-4,7-8,10H2,1H3.
What are the key properties of N-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine?
N-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine has a molecular weight of 342.24 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine is sourced from PubChem (CID 63637187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).