4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine

C14H20N2O4 — CID 105061240

IUPAC4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine
SMILESCOc1cc([N+](=O)[O-])ccc1OCCC1CCNCC1
InChIInChI=1S/C14H20N2O4/c1-19-14-10-12(16(17)18)2-3-13(14)20-9-6-11-4-7-15-8-5-11/h2-3,10-11,15H,4-9H2,1H3
InChIKeyRLRAHTZBJCGJBD-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.37
Rot. Bonds6

About 4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine

4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine (PubChem CID 105061240) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine
PubChem CID105061240
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine
SMILESCOc1cc([N+](=O)[O-])ccc1OCCC1CCNCC1
InChIInChI=1S/C14H20N2O4/c1-19-14-10-12(16(17)18)2-3-13(14)20-9-6-11-4-7-15-8-5-11/h2-3,10-11,15H,4-9H2,1H3
InChIKeyRLRAHTZBJCGJBD-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'}

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Related Compounds

3-[2-(2-methoxy-5-nitrophenoxy)ethyl]azetidine
CID 107391611
3-[2-(2-methyl-4-nitrophenoxy)ethyl]pyrrolidine
CID 114796274
3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine
CID 62356704
2-methoxy-4-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79708090
1-(2-chloroethoxy)-2-methoxy-4-nitrobenzene
CID 22326897
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212
N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029592
1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-amine
CID 91509694
3-[(2-methoxy-5-nitrophenoxy)methyl]azetidine
CID 112745306
4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine
CID 59815628
4-[2-(2-methyl-3-nitrophenoxy)ethyl]piperidine
CID 105061214
4-[2-(4,5-dichloro-2-nitrophenoxy)ethyl]piperidine
CID 107499870

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine?
The IUPAC name of 4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine (CID 105061240) is 4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine.
What is the SMILES notation for 4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine?
The canonical SMILES for 4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine is COc1cc([N+](=O)[O-])ccc1OCCC1CCNCC1.
What is the InChIKey of 4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine?
The InChIKey is RLRAHTZBJCGJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-14-10-12(16(17)18)2-3-13(14)20-9-6-11-4-7-15-8-5-11/h2-3,10-11,15H,4-9H2,1H3.
What are the key properties of 4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine?
4-[2-(2-methoxy-4-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 4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine is sourced from PubChem (CID 105061240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).