4-(2-bromo-4-nitrophenoxy)piperidine

C11H13BrN2O3 — CID 62347639

IUPAC4-(2-bromo-4-nitrophenoxy)piperidine
SMILESO=[N+]([O-])c1ccc(OC2CCNCC2)c(Br)c1
InChIInChI=1S/C11H13BrN2O3/c12-10-7-8(14(15)16)1-2-11(10)17-9-3-5-13-6-4-9/h1-2,7,9,13H,3-6H2
InChIKeyGFIATOTVRWHPIV-UHFFFAOYSA-N
MW301.14 g/mol
LogP2.49
Rot. Bonds3

About 4-(2-bromo-4-nitrophenoxy)piperidine

4-(2-bromo-4-nitrophenoxy)piperidine (PubChem CID 62347639) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 4-(2-bromo-4-nitrophenoxy)piperidine.

Molecular Properties

Compound Name4-(2-bromo-4-nitrophenoxy)piperidine
PubChem CID62347639
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name4-(2-bromo-4-nitrophenoxy)piperidine
SMILESO=[N+]([O-])c1ccc(OC2CCNCC2)c(Br)c1
InChIInChI=1S/C11H13BrN2O3/c12-10-7-8(14(15)16)1-2-11(10)17-9-3-5-13-6-4-9/h1-2,7,9,13H,3-6H2
InChIKeyGFIATOTVRWHPIV-UHFFFAOYSA-N
XLogP2.49
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 52.49
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

4-(2,4-dinitrophenoxy)piperidine
CID 62342248
5-nitro-2-piperidin-4-yloxybenzamide
CID 62342062
3-(2-fluoro-4-nitrophenoxy)pyrrolidine
CID 62328282
4-(2-bromo-4-methylphenoxy)piperidine
CID 26191684
4-(4-nitrophenoxy)piperidine;hydrochloride
CID 22591401
4-(2-bromo-4-methoxyphenoxy)piperidine
CID 56830635
4-(2-bromo-4-tert-butylphenoxy)piperidine
CID 56830744
ethane;4-(3-nitrophenoxy)piperidine
CID 156721949
4-(5-methyl-2-nitrophenoxy)piperidine
CID 20735388
2-[(2-bromo-4-nitrophenoxy)methyl]piperidine
CID 62348467
(2S)-2-[(2-bromo-4-nitrophenoxy)methyl]piperidine
CID 177197250
3-(2,4-dibromophenoxy)pyrrolidine
CID 53409181

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-nitrophenoxy)piperidine?
The IUPAC name of 4-(2-bromo-4-nitrophenoxy)piperidine (CID 62347639) is 4-(2-bromo-4-nitrophenoxy)piperidine.
What is the SMILES notation for 4-(2-bromo-4-nitrophenoxy)piperidine?
The canonical SMILES for 4-(2-bromo-4-nitrophenoxy)piperidine is O=[N+]([O-])c1ccc(OC2CCNCC2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-nitrophenoxy)piperidine?
The InChIKey is GFIATOTVRWHPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c12-10-7-8(14(15)16)1-2-11(10)17-9-3-5-13-6-4-9/h1-2,7,9,13H,3-6H2.
What are the key properties of 4-(2-bromo-4-nitrophenoxy)piperidine?
4-(2-bromo-4-nitrophenoxy)piperidine has a molecular weight of 301.14 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-nitrophenoxy)piperidine is sourced from PubChem (CID 62347639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).