1-(2-methoxy-4-nitrophenyl)piperidine

C12H16N2O3 — CID 2825431

IUPAC1-(2-methoxy-4-nitrophenyl)piperidine
SMILESCOc1cc([N+](=O)[O-])ccc1N1CCCCC1
InChIInChI=1S/C12H16N2O3/c1-17-12-9-10(14(15)16)5-6-11(12)13-7-3-2-4-8-13/h5-6,9H,2-4,7-8H2,1H3
InChIKeyLLZSTLUJAGNBQV-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.59
Rot. Bonds3

About 1-(2-methoxy-4-nitrophenyl)piperidine

1-(2-methoxy-4-nitrophenyl)piperidine (PubChem CID 2825431) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(2-methoxy-4-nitrophenyl)piperidine.

Molecular Properties

Compound Name1-(2-methoxy-4-nitrophenyl)piperidine
PubChem CID2825431
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-(2-methoxy-4-nitrophenyl)piperidine
SMILESCOc1cc([N+](=O)[O-])ccc1N1CCCCC1
InChIInChI=1S/C12H16N2O3/c1-17-12-9-10(14(15)16)5-6-11(12)13-7-3-2-4-8-13/h5-6,9H,2-4,7-8H2,1H3
InChIKeyLLZSTLUJAGNBQV-UHFFFAOYSA-N
XLogP2.59
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

2-Methoxy-4-nitroaniline
CID 7337
HC Yellow 4
CID 62158
4-(2,5-Diethoxy-4-nitrophenyl)morpholine
CID 66571
5-Morpholino-2-nitrophenol
CID 2799399
1-(2-Methoxyphenyl)-4-propylpiperazine
CID 410747
Ace-011
CID 2877953
2-Methoxy-4-(4-methylpiperazin-1-yl)aniline
CID 20136253
1-Butyl-4-(2-methoxy-phenyl)-piperazine
CID 10354670
1-Ethyl-4-(2-methoxyphenyl)piperazine
CID 10376185
1-(2-Methoxyphenyl)-4-pentylpiperazine
CID 10422832
1-(2,5-Dimethoxyphenyl)piperazine
CID 2758473
4-[2-(2-Nitrophenoxy)ethyl]morpholine
CID 867361

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-nitrophenyl)piperidine?
The IUPAC name of 1-(2-methoxy-4-nitrophenyl)piperidine (CID 2825431) is 1-(2-methoxy-4-nitrophenyl)piperidine.
What is the SMILES notation for 1-(2-methoxy-4-nitrophenyl)piperidine?
The canonical SMILES for 1-(2-methoxy-4-nitrophenyl)piperidine is COc1cc([N+](=O)[O-])ccc1N1CCCCC1.
What is the InChIKey of 1-(2-methoxy-4-nitrophenyl)piperidine?
The InChIKey is LLZSTLUJAGNBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-12-9-10(14(15)16)5-6-11(12)13-7-3-2-4-8-13/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-(2-methoxy-4-nitrophenyl)piperidine?
1-(2-methoxy-4-nitrophenyl)piperidine has a molecular weight of 236.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-nitrophenyl)piperidine is sourced from PubChem (CID 2825431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).