3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine

C14H20N2O4 — CID 62356704

IUPAC3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine
SMILESCOc1ccc([N+](=O)[O-])cc1OCCC1CCCNC1
InChIInChI=1S/C14H20N2O4/c1-19-13-5-4-12(16(17)18)9-14(13)20-8-6-11-3-2-7-15-10-11/h4-5,9,11,15H,2-3,6-8,10H2,1H3
InChIKeyKCXCBHGBZYXDRF-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.37
Rot. Bonds6

About 3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine

3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine (PubChem CID 62356704) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine
PubChem CID62356704
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine
SMILESCOc1ccc([N+](=O)[O-])cc1OCCC1CCCNC1
InChIInChI=1S/C14H20N2O4/c1-19-13-5-4-12(16(17)18)9-14(13)20-8-6-11-3-2-7-15-10-11/h4-5,9,11,15H,2-3,6-8,10H2,1H3
InChIKeyKCXCBHGBZYXDRF-UHFFFAOYSA-N
XLogP2.37
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(2-methoxy-5-nitrophenoxy)ethyl]azetidine
CID 107391611
4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine
CID 105061240
3-[2-(2-methyl-4-nitrophenoxy)ethyl]pyrrolidine
CID 114796274
(3S)-3-[2-(4-nitrophenoxy)ethyl]piperidine
CID 86321527
3-[(2-methoxy-5-nitrophenoxy)methyl]azetidine
CID 112745306
3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine
CID 62356017
2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide
CID 119464316
6-nitro-2-[2-[(3S)-piperidin-3-yl]ethoxy]quinoxaline
CID 97177904
3-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine
CID 62357045
4-nitro-3-(2-piperidin-3-ylethoxy)benzamide
CID 82992578
3-[[1-[(2-methoxy-4-nitrophenyl)methyl]triazol-4-yl]methyl]piperidine
CID 167928373
3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 62475730

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine?
The IUPAC name of 3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine (CID 62356704) is 3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine.
What is the SMILES notation for 3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine?
The canonical SMILES for 3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine is COc1ccc([N+](=O)[O-])cc1OCCC1CCCNC1.
What is the InChIKey of 3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine?
The InChIKey is KCXCBHGBZYXDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-13-5-4-12(16(17)18)9-14(13)20-8-6-11-3-2-7-15-10-11/h4-5,9,11,15H,2-3,6-8,10H2,1H3.
What are the key properties of 3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine?
3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine has a molecular weight of 280.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine is sourced from PubChem (CID 62356704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).