4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine

C14H20N2O4 — CID 59815628

IUPAC4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine
SMILESCOc1cc([N+](=O)[O-])ccc1OCC1CCN(C)CC1
InChIInChI=1S/C14H20N2O4/c1-15-7-5-11(6-8-15)10-20-13-4-3-12(16(17)18)9-14(13)19-2/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyVEIWAPOUEBWQKE-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.32
Rot. Bonds5

About 4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine

4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine (PubChem CID 59815628) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine
PubChem CID59815628
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine
SMILESCOc1cc([N+](=O)[O-])ccc1OCC1CCN(C)CC1
InChIInChI=1S/C14H20N2O4/c1-15-7-5-11(6-8-15)10-20-13-4-3-12(16(17)18)9-14(13)19-2/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyVEIWAPOUEBWQKE-UHFFFAOYSA-N
XLogP2.32
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.32
H-Bond Donors ≤ 50
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

1-methyl-4-[[5-nitro-2-(1,1,2,2,2-pentafluoroethyl)phenoxy]methyl]piperidine
CID 22249451
1-tert-butyl-4-[(2-methoxy-5-nitrophenoxy)methyl]piperidine
CID 146317632
2-methoxy-5-nitrophenol;4-[(2-methoxy-4-nitrophenoxy)methyl]piperidine-1-carbaldehyde
CID 87886391
1,2-bis(cyclobutylmethoxy)-4-nitrobenzene
CID 125465351
1-methyl-4-[[5-nitro-2-(1,1,2,2,2-pentafluoroethyl)phenoxy]methyl]piperidine;4-[[5-nitro-2-(1,1,2,2,2-pentafluoroethyl)phenoxy]methyl]piperidine
CID 87960527
3-[(2-methoxy-5-nitrophenoxy)methyl]azetidine
CID 112745306
1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-amine
CID 91509694
1-(2-chloroethoxy)-2-methoxy-4-nitrobenzene
CID 22326897
1-(2-bromoethoxy)-2-methoxy-4-nitrobenzene;3-fluoro-1-[2-(2-methoxy-4-nitrophenoxy)ethyl]pyrrolidine
CID 87801734
3-methoxy-4-[(1-methylpyrrolidin-3-yl)methoxy]benzaldehyde
CID 117052352
4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine
CID 105061240
2-[(2-methoxy-5-nitrophenoxy)methyl]oxirane
CID 16784964

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine?
The IUPAC name of 4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine (CID 59815628) is 4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine.
What is the SMILES notation for 4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine?
The canonical SMILES for 4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine is COc1cc([N+](=O)[O-])ccc1OCC1CCN(C)CC1.
What is the InChIKey of 4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine?
The InChIKey is VEIWAPOUEBWQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-15-7-5-11(6-8-15)10-20-13-4-3-12(16(17)18)9-14(13)19-2/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine?
4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine has a molecular weight of 280.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-4-nitrophenoxy)methyl]-1-methylpiperidine is sourced from PubChem (CID 59815628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).