4-[(2-nitrophenyl)methoxy]piperidine

C12H16N2O3 — CID 43346289

IUPAC4-[(2-nitrophenyl)methoxy]piperidine
SMILESO=[N+]([O-])c1ccccc1COC1CCNCC1
InChIInChI=1S/C12H16N2O3/c15-14(16)12-4-2-1-3-10(12)9-17-11-5-7-13-8-6-11/h1-4,11,13H,5-9H2
InChIKeyAUXSARHDXBBSAF-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.86
Rot. Bonds4

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

4-[(2-nitrophenyl)methoxy]piperidine (PubChem CID 43346289) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[(2-nitrophenyl)methoxy]piperidine.

Molecular Properties

Compound Name4-[(2-nitrophenyl)methoxy]piperidine
PubChem CID43346289
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-[(2-nitrophenyl)methoxy]piperidine
SMILESO=[N+]([O-])c1ccccc1COC1CCNCC1
InChIInChI=1S/C12H16N2O3/c15-14(16)12-4-2-1-3-10(12)9-17-11-5-7-13-8-6-11/h1-4,11,13H,5-9H2
InChIKeyAUXSARHDXBBSAF-UHFFFAOYSA-N
XLogP1.86
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.86
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-(cyclobutyloxymethyl)-2-nitrobenzene
CID 122651688
1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene
CID 107348718
4-(naphthalen-1-ylmethoxy)piperidine
CID 13194444
3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine
CID 107349946
2-bromo-1-[(4-methylcyclohexyl)oxymethyl]-3-nitrobenzene
CID 114048711
(2-nitrophenyl)methyl N-piperidin-4-yl-N-prop-2-ynylcarbamate;hydrochloride
CID 18677697
O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
N-[(2-nitrophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79700162
N-methyl-2-nitro-6-(oxan-4-yloxymethyl)aniline
CID 107352339
(2R,3S)-2-(hydroxymethyl)-5-[(2-nitrophenyl)methoxy]oxolan-3-ol
CID 15224674
4-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine
CID 102954275
1-cyclopropyl-2-(2-nitrophenyl)ethanone
CID 61055692

Frequently Asked Questions

What is the IUPAC name of 4-[(2-nitrophenyl)methoxy]piperidine?
The IUPAC name of 4-[(2-nitrophenyl)methoxy]piperidine (CID 43346289) is 4-[(2-nitrophenyl)methoxy]piperidine.
What is the SMILES notation for 4-[(2-nitrophenyl)methoxy]piperidine?
The canonical SMILES for 4-[(2-nitrophenyl)methoxy]piperidine is O=[N+]([O-])c1ccccc1COC1CCNCC1.
What is the InChIKey of 4-[(2-nitrophenyl)methoxy]piperidine?
The InChIKey is AUXSARHDXBBSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-14(16)12-4-2-1-3-10(12)9-17-11-5-7-13-8-6-11/h1-4,11,13H,5-9H2.
What are the key properties of 4-[(2-nitrophenyl)methoxy]piperidine?
4-[(2-nitrophenyl)methoxy]piperidine has a molecular weight of 236.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-nitrophenyl)methoxy]piperidine is sourced from PubChem (CID 43346289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).