N-(5-bromo-2-nitrophenyl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine

C17H19BrN4O2 — CID 133394005

IUPACN-(5-bromo-2-nitrophenyl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine
SMILESCc1cccc(N2CCC(Nc3cc(Br)ccc3[N+](=O)[O-])CC2)n1
InChIInChI=1S/C17H19BrN4O2/c1-12-3-2-4-17(19-12)21-9-7-14(8-10-21)20-15-11-13(18)5-6-16(15)22(23)24/h2-6,11,14,20H,7-10H2,1H3
InChIKeyZDYNDFXBETWPEL-UHFFFAOYSA-N
MW391.27 g/mol
LogP4.14
Rot. Bonds4

About N-(5-bromo-2-nitrophenyl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine

N-(5-bromo-2-nitrophenyl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine (PubChem CID 133394005) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-(5-bromo-2-nitrophenyl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-nitrophenyl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine
PubChem CID133394005
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC NameN-(5-bromo-2-nitrophenyl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine
SMILESCc1cccc(N2CCC(Nc3cc(Br)ccc3[N+](=O)[O-])CC2)n1
InChIInChI=1S/C17H19BrN4O2/c1-12-3-2-4-17(19-12)21-9-7-14(8-10-21)20-15-11-13(18)5-6-16(15)22(23)24/h2-6,11,14,20H,7-10H2,1H3
InChIKeyZDYNDFXBETWPEL-UHFFFAOYSA-N
XLogP4.14
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 54.14
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

N-(5-bromo-2-nitrophenyl)thian-4-amine
CID 113260841
5-bromo-N-cyclopent-3-en-1-yl-2-nitroaniline
CID 115715250
1-(5-bromo-2-nitrophenyl)-N-(2-methoxyphenyl)piperidin-4-amine
CID 133368865
6-[4-(4-bromo-2-nitroanilino)piperidin-1-yl]pyridine-3-carbonitrile
CID 133286740
[4-(5-bromo-2-nitroanilino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 133394136
N-(4-bromo-2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43222294
5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline
CID 65341327
1-(2,6-dimethylpyrimidin-4-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-amine
CID 133336093
N-(4-bromo-2-nitrophenyl)-1-propylpiperidin-4-amine
CID 43225000
4-(5-bromo-2-nitroanilino)-1-cyclopropylpyrrolidin-2-one
CID 133368608
5-bromo-N-(2-methylcyclohexyl)-2-nitroaniline
CID 65341912
2-methylpropyl 3-(5-bromo-2-nitroanilino)pyrrolidine-1-carboxylate
CID 71116561

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-nitrophenyl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine?
The IUPAC name of N-(5-bromo-2-nitrophenyl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine (CID 133394005) is N-(5-bromo-2-nitrophenyl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine.
What is the SMILES notation for N-(5-bromo-2-nitrophenyl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine?
The canonical SMILES for N-(5-bromo-2-nitrophenyl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine is Cc1cccc(N2CCC(Nc3cc(Br)ccc3[N+](=O)[O-])CC2)n1.
What is the InChIKey of N-(5-bromo-2-nitrophenyl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine?
The InChIKey is ZDYNDFXBETWPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c1-12-3-2-4-17(19-12)21-9-7-14(8-10-21)20-15-11-13(18)5-6-16(15)22(23)24/h2-6,11,14,20H,7-10H2,1H3.
What are the key properties of N-(5-bromo-2-nitrophenyl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine?
N-(5-bromo-2-nitrophenyl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine has a molecular weight of 391.27 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-nitrophenyl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine is sourced from PubChem (CID 133394005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).