1-(4-bromo-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine

C15H20BrN3O2 — CID 63254283

IUPAC1-(4-bromo-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine
SMILESO=[N+]([O-])c1cc(Br)ccc1N1CCCCC1C1CCCN1
InChIInChI=1S/C15H20BrN3O2/c16-11-6-7-14(15(10-11)19(20)21)18-9-2-1-5-13(18)12-4-3-8-17-12/h6-7,10,12-13,17H,1-5,8-9H2
InChIKeyHHFOYMGKQVLTPT-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.47
Rot. Bonds3

About 1-(4-bromo-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine

1-(4-bromo-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine (PubChem CID 63254283) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 1-(4-bromo-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(4-bromo-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine
PubChem CID63254283
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name1-(4-bromo-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine
SMILESO=[N+]([O-])c1cc(Br)ccc1N1CCCCC1C1CCCN1
InChIInChI=1S/C15H20BrN3O2/c16-11-6-7-14(15(10-11)19(20)21)18-9-2-1-5-13(18)12-4-3-8-17-12/h6-7,10,12-13,17H,1-5,8-9H2
InChIKeyHHFOYMGKQVLTPT-UHFFFAOYSA-N
XLogP3.47
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.47
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

1-(5-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine
CID 115471846
1-(2-bromo-4-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine
CID 62274794
5-bromo-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)benzonitrile
CID 114893925
1-(2-methyl-5-nitrophenyl)-2-pyrrolidin-2-ylpiperidine
CID 63254369
1-(4-bromo-2-nitrophenyl)-2-propan-2-ylpyrrolidine
CID 62897062
1-(3-chloro-2-nitrophenyl)-2-pyrrolidin-2-ylpyrrolidine
CID 104839330
5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
CID 83259903
(4aS,7aS)-6-(5-bromo-2-nitrophenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683978
2-(4-bromo-2-nitrophenyl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 78992221
2-nitro-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)benzonitrile
CID 104719959
5-bromo-9-nitro-1-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene
CID 142752322
1-[1-(4-bromo-2-nitrophenyl)pyrrolidin-3-yl]piperidine
CID 63175015

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(4-bromo-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine (CID 63254283) is 1-(4-bromo-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(4-bromo-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(4-bromo-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine is O=[N+]([O-])c1cc(Br)ccc1N1CCCCC1C1CCCN1.
What is the InChIKey of 1-(4-bromo-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine?
The InChIKey is HHFOYMGKQVLTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c16-11-6-7-14(15(10-11)19(20)21)18-9-2-1-5-13(18)12-4-3-8-17-12/h6-7,10,12-13,17H,1-5,8-9H2.
What are the key properties of 1-(4-bromo-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine?
1-(4-bromo-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine has a molecular weight of 354.25 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-nitrophenyl)-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63254283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).