3-[(2-bromo-4-nitrophenyl)methoxy]piperidine

C12H15BrN2O3 — CID 62329388

IUPAC3-[(2-bromo-4-nitrophenyl)methoxy]piperidine
SMILESO=[N+]([O-])c1ccc(COC2CCCNC2)c(Br)c1
InChIInChI=1S/C12H15BrN2O3/c13-12-6-10(15(16)17)4-3-9(12)8-18-11-2-1-5-14-7-11/h3-4,6,11,14H,1-2,5,7-8H2
InChIKeyGGLQHAFDPWDINO-UHFFFAOYSA-N
MW315.17 g/mol
LogP2.63
Rot. Bonds4

About 3-[(2-bromo-4-nitrophenyl)methoxy]piperidine

3-[(2-bromo-4-nitrophenyl)methoxy]piperidine (PubChem CID 62329388) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-[(2-bromo-4-nitrophenyl)methoxy]piperidine.

Molecular Properties

Compound Name3-[(2-bromo-4-nitrophenyl)methoxy]piperidine
PubChem CID62329388
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name3-[(2-bromo-4-nitrophenyl)methoxy]piperidine
SMILESO=[N+]([O-])c1ccc(COC2CCCNC2)c(Br)c1
InChIInChI=1S/C12H15BrN2O3/c13-12-6-10(15(16)17)4-3-9(12)8-18-11-2-1-5-14-7-11/h3-4,6,11,14H,1-2,5,7-8H2
InChIKeyGGLQHAFDPWDINO-UHFFFAOYSA-N
XLogP2.63
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 52.63
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

3-[(2-bromo-4-nitrophenyl)methoxy]azetidine
CID 63106271
3-[(2-chloro-4-nitrophenyl)methoxy]pyrrolidine
CID 62327911
3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine
CID 107349946
3-[(2-bromo-4-nitrophenyl)methyl]piperidin-4-one
CID 114451590
3-(2-iodo-4-nitrophenoxy)piperidine
CID 66093717
3-[(3-nitrophenyl)methoxy]pyrrolidine
CID 18388249
3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine
CID 79523632
3-[(3-bromo-2-fluorophenyl)methoxy]piperidine
CID 146023940
2-bromo-1-(bromomethyl)-4-nitrobenzene
CID 14644718
(3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine
CID 66245197
2-(2-bromo-4-nitrophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119551744
2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 119557297

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-nitrophenyl)methoxy]piperidine?
The IUPAC name of 3-[(2-bromo-4-nitrophenyl)methoxy]piperidine (CID 62329388) is 3-[(2-bromo-4-nitrophenyl)methoxy]piperidine.
What is the SMILES notation for 3-[(2-bromo-4-nitrophenyl)methoxy]piperidine?
The canonical SMILES for 3-[(2-bromo-4-nitrophenyl)methoxy]piperidine is O=[N+]([O-])c1ccc(COC2CCCNC2)c(Br)c1.
What is the InChIKey of 3-[(2-bromo-4-nitrophenyl)methoxy]piperidine?
The InChIKey is GGLQHAFDPWDINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c13-12-6-10(15(16)17)4-3-9(12)8-18-11-2-1-5-14-7-11/h3-4,6,11,14H,1-2,5,7-8H2.
What are the key properties of 3-[(2-bromo-4-nitrophenyl)methoxy]piperidine?
3-[(2-bromo-4-nitrophenyl)methoxy]piperidine has a molecular weight of 315.17 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-nitrophenyl)methoxy]piperidine is sourced from PubChem (CID 62329388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).