1-(5-bromo-2-nitrophenyl)-N-(2-methoxyphenyl)piperidin-4-amine

C18H20BrN3O3 — CID 133368865

IUPAC1-(5-bromo-2-nitrophenyl)-N-(2-methoxyphenyl)piperidin-4-amine
SMILESCOc1ccccc1NC1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C18H20BrN3O3/c1-25-18-5-3-2-4-15(18)20-14-8-10-21(11-9-14)17-12-13(19)6-7-16(17)22(23)24/h2-7,12,14,20H,8-11H2,1H3
InChIKeyBZYWXGHBETYCKQ-UHFFFAOYSA-N
MW406.28 g/mol
LogP4.45
Rot. Bonds5

About 1-(5-bromo-2-nitrophenyl)-N-(2-methoxyphenyl)piperidin-4-amine

1-(5-bromo-2-nitrophenyl)-N-(2-methoxyphenyl)piperidin-4-amine (PubChem CID 133368865) has the molecular formula C18H20BrN3O3 and a molecular weight of 406.28 g/mol. Its IUPAC name is 1-(5-bromo-2-nitrophenyl)-N-(2-methoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(5-bromo-2-nitrophenyl)-N-(2-methoxyphenyl)piperidin-4-amine
PubChem CID133368865
Molecular FormulaC18H20BrN3O3
Molecular Weight406.28 g/mol
Exact Mass405.07
IUPAC Name1-(5-bromo-2-nitrophenyl)-N-(2-methoxyphenyl)piperidin-4-amine
SMILESCOc1ccccc1NC1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C18H20BrN3O3/c1-25-18-5-3-2-4-15(18)20-14-8-10-21(11-9-14)17-12-13(19)6-7-16(17)22(23)24/h2-7,12,14,20H,8-11H2,1H3
InChIKeyBZYWXGHBETYCKQ-UHFFFAOYSA-N
XLogP4.45
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 54.45
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

1-[1-(5-bromo-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 65343117
4-bromo-N-(2-methoxyphenyl)-2-nitroaniline
CID 63462508
N-(2-fluorophenyl)-1-(2-nitrophenyl)piperidin-4-amine
CID 133330809
N-(5-bromo-2-nitrophenyl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine
CID 133394005
methyl 2-chloro-4-[4-(2-fluoroanilino)piperidin-1-yl]-5-nitrobenzoate
CID 133394504
4-(5-bromo-2-nitrophenyl)morpholine
CID 71651965
1-(5-bromo-2-nitrophenyl)-3-methylpiperidin-4-amine
CID 79867412
N-(4-bromo-2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43222294
N-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine
CID 4270050
N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 5131485
1-(2,4-difluorophenyl)-N-(3-methoxy-4-nitrophenyl)pyrrolidin-3-amine
CID 133320558
N-(4-bromo-2-nitrophenyl)-1-propylpiperidin-4-amine
CID 43225000

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-nitrophenyl)-N-(2-methoxyphenyl)piperidin-4-amine?
The IUPAC name of 1-(5-bromo-2-nitrophenyl)-N-(2-methoxyphenyl)piperidin-4-amine (CID 133368865) is 1-(5-bromo-2-nitrophenyl)-N-(2-methoxyphenyl)piperidin-4-amine.
What is the SMILES notation for 1-(5-bromo-2-nitrophenyl)-N-(2-methoxyphenyl)piperidin-4-amine?
The canonical SMILES for 1-(5-bromo-2-nitrophenyl)-N-(2-methoxyphenyl)piperidin-4-amine is COc1ccccc1NC1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(5-bromo-2-nitrophenyl)-N-(2-methoxyphenyl)piperidin-4-amine?
The InChIKey is BZYWXGHBETYCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O3/c1-25-18-5-3-2-4-15(18)20-14-8-10-21(11-9-14)17-12-13(19)6-7-16(17)22(23)24/h2-7,12,14,20H,8-11H2,1H3.
What are the key properties of 1-(5-bromo-2-nitrophenyl)-N-(2-methoxyphenyl)piperidin-4-amine?
1-(5-bromo-2-nitrophenyl)-N-(2-methoxyphenyl)piperidin-4-amine has a molecular weight of 406.28 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-nitrophenyl)-N-(2-methoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 133368865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).