3-(2-iodo-4-nitrophenoxy)piperidine

C11H13IN2O3 — CID 66093717

IUPAC3-(2-iodo-4-nitrophenoxy)piperidine
SMILESO=[N+]([O-])c1ccc(OC2CCCNC2)c(I)c1
InChIInChI=1S/C11H13IN2O3/c12-10-6-8(14(15)16)3-4-11(10)17-9-2-1-5-13-7-9/h3-4,6,9,13H,1-2,5,7H2
InChIKeyOXWXEMCJUWQLTI-UHFFFAOYSA-N
MW348.14 g/mol
LogP2.33
Rot. Bonds3

About 3-(2-iodo-4-nitrophenoxy)piperidine

3-(2-iodo-4-nitrophenoxy)piperidine (PubChem CID 66093717) has the molecular formula C11H13IN2O3 and a molecular weight of 348.14 g/mol. Its IUPAC name is 3-(2-iodo-4-nitrophenoxy)piperidine.

Molecular Properties

Compound Name3-(2-iodo-4-nitrophenoxy)piperidine
PubChem CID66093717
Molecular FormulaC11H13IN2O3
Molecular Weight348.14 g/mol
Exact Mass348.00
IUPAC Name3-(2-iodo-4-nitrophenoxy)piperidine
SMILESO=[N+]([O-])c1ccc(OC2CCCNC2)c(I)c1
InChIInChI=1S/C11H13IN2O3/c12-10-6-8(14(15)16)3-4-11(10)17-9-2-1-5-13-7-9/h3-4,6,9,13H,1-2,5,7H2
InChIKeyOXWXEMCJUWQLTI-UHFFFAOYSA-N
XLogP2.33
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluoro-4-nitrophenoxy)pyrrolidine
CID 62328282
3-(2-iodophenoxy)piperidine
CID 56831165
3-[(2-bromo-4-nitrophenyl)methoxy]piperidine
CID 62329388
5-nitro-2-piperidin-3-yloxy-1,3-benzoxazole;hydrochloride
CID 71635920
3-(3-methyl-5-nitrophenoxy)piperidine
CID 112649701
4-nitro-5-[(3S)-piperidin-3-yl]oxy-1,3-benzothiazole
CID 66245627
(3S)-3-(3-chloro-2-nitrophenoxy)piperidine
CID 104839566
4-(2,4-dinitrophenoxy)piperidine
CID 62342248
4-nitro-2-pyrrolidin-3-yloxypyridine
CID 62349345
3-chloro-5-nitro-2-piperidin-3-yloxypyridine
CID 114046940
4-(2-bromo-4-nitrophenoxy)piperidine
CID 62347639
6-[(2-iodo-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine
CID 114775752

Frequently Asked Questions

What is the IUPAC name of 3-(2-iodo-4-nitrophenoxy)piperidine?
The IUPAC name of 3-(2-iodo-4-nitrophenoxy)piperidine (CID 66093717) is 3-(2-iodo-4-nitrophenoxy)piperidine.
What is the SMILES notation for 3-(2-iodo-4-nitrophenoxy)piperidine?
The canonical SMILES for 3-(2-iodo-4-nitrophenoxy)piperidine is O=[N+]([O-])c1ccc(OC2CCCNC2)c(I)c1.
What is the InChIKey of 3-(2-iodo-4-nitrophenoxy)piperidine?
The InChIKey is OXWXEMCJUWQLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O3/c12-10-6-8(14(15)16)3-4-11(10)17-9-2-1-5-13-7-9/h3-4,6,9,13H,1-2,5,7H2.
What are the key properties of 3-(2-iodo-4-nitrophenoxy)piperidine?
3-(2-iodo-4-nitrophenoxy)piperidine has a molecular weight of 348.14 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodo-4-nitrophenoxy)piperidine is sourced from PubChem (CID 66093717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).