4-(2,4-dinitrophenoxy)piperidine

C11H13N3O5 — CID 62342248

IUPAC4-(2,4-dinitrophenoxy)piperidine
SMILESO=[N+]([O-])c1ccc(OC2CCNCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13N3O5/c15-13(16)8-1-2-11(10(7-8)14(17)18)19-9-3-5-12-6-4-9/h1-2,7,9,12H,3-6H2
InChIKeyYEXGMILNIRNLAV-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.63
Rot. Bonds4

About 4-(2,4-dinitrophenoxy)piperidine

4-(2,4-dinitrophenoxy)piperidine (PubChem CID 62342248) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 4-(2,4-dinitrophenoxy)piperidine.

Molecular Properties

Compound Name4-(2,4-dinitrophenoxy)piperidine
PubChem CID62342248
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name4-(2,4-dinitrophenoxy)piperidine
SMILESO=[N+]([O-])c1ccc(OC2CCNCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13N3O5/c15-13(16)8-1-2-11(10(7-8)14(17)18)19-9-3-5-12-6-4-9/h1-2,7,9,12H,3-6H2
InChIKeyYEXGMILNIRNLAV-UHFFFAOYSA-N
XLogP1.63
TPSA107.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-bromo-4-nitrophenoxy)piperidine
CID 62347639
5-nitro-2-piperidin-4-yloxybenzamide
CID 62342062
3-(2,4-dinitrophenoxy)-4-methylpiperidine
CID 102954668
3-nitro-4-pyrrolidin-3-yloxybenzonitrile
CID 62327417
3-(2,4-dinitrophenoxy)thiolane 1,1-dioxide
CID 3713141
3-(2-fluoro-4-nitrophenoxy)pyrrolidine
CID 62328282
4-(5-methyl-2-nitrophenoxy)piperidine
CID 20735388
4-(4-nitrophenoxy)piperidine;hydrochloride
CID 22591401
3-nitro-4-piperidin-4-yloxypyridine;hydrochloride
CID 68908820
3-[(2,4-dinitrophenoxy)methyl]pyrrolidine
CID 62370512
(3S)-3-(4-methoxy-2-nitrophenoxy)pyrrolidine
CID 115460380
4-(2,4-dinitrophenyl)piperidine
CID 15925829

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dinitrophenoxy)piperidine?
The IUPAC name of 4-(2,4-dinitrophenoxy)piperidine (CID 62342248) is 4-(2,4-dinitrophenoxy)piperidine.
What is the SMILES notation for 4-(2,4-dinitrophenoxy)piperidine?
The canonical SMILES for 4-(2,4-dinitrophenoxy)piperidine is O=[N+]([O-])c1ccc(OC2CCNCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(2,4-dinitrophenoxy)piperidine?
The InChIKey is YEXGMILNIRNLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-13(16)8-1-2-11(10(7-8)14(17)18)19-9-3-5-12-6-4-9/h1-2,7,9,12H,3-6H2.
What are the key properties of 4-(2,4-dinitrophenoxy)piperidine?
4-(2,4-dinitrophenoxy)piperidine has a molecular weight of 267.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dinitrophenoxy)piperidine is sourced from PubChem (CID 62342248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).