3-[(3-methoxy-5-nitrophenyl)methoxy]-3-methylpiperidine

C14H20N2O4 — CID 107385743

IUPAC3-[(3-methoxy-5-nitrophenyl)methoxy]-3-methylpiperidine
SMILESCOc1cc(COC2(C)CCCNC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O4/c1-14(4-3-5-15-10-14)20-9-11-6-12(16(17)18)8-13(7-11)19-2/h6-8,15H,3-5,9-10H2,1-2H3
InChIKeyGKCWYIIDIMCDKH-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.26
Rot. Bonds5

About 3-[(3-methoxy-5-nitrophenyl)methoxy]-3-methylpiperidine

3-[(3-methoxy-5-nitrophenyl)methoxy]-3-methylpiperidine (PubChem CID 107385743) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[(3-methoxy-5-nitrophenyl)methoxy]-3-methylpiperidine.

Molecular Properties

Compound Name3-[(3-methoxy-5-nitrophenyl)methoxy]-3-methylpiperidine
PubChem CID107385743
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-[(3-methoxy-5-nitrophenyl)methoxy]-3-methylpiperidine
SMILESCOc1cc(COC2(C)CCCNC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O4/c1-14(4-3-5-15-10-14)20-9-11-6-12(16(17)18)8-13(7-11)19-2/h6-8,15H,3-5,9-10H2,1-2H3
InChIKeyGKCWYIIDIMCDKH-UHFFFAOYSA-N
XLogP2.26
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.26
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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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-5-nitrophenyl)methoxy]-3-methylpiperidine?
The IUPAC name of 3-[(3-methoxy-5-nitrophenyl)methoxy]-3-methylpiperidine (CID 107385743) is 3-[(3-methoxy-5-nitrophenyl)methoxy]-3-methylpiperidine.
What is the SMILES notation for 3-[(3-methoxy-5-nitrophenyl)methoxy]-3-methylpiperidine?
The canonical SMILES for 3-[(3-methoxy-5-nitrophenyl)methoxy]-3-methylpiperidine is COc1cc(COC2(C)CCCNC2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-[(3-methoxy-5-nitrophenyl)methoxy]-3-methylpiperidine?
The InChIKey is GKCWYIIDIMCDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(4-3-5-15-10-14)20-9-11-6-12(16(17)18)8-13(7-11)19-2/h6-8,15H,3-5,9-10H2,1-2H3.
What are the key properties of 3-[(3-methoxy-5-nitrophenyl)methoxy]-3-methylpiperidine?
3-[(3-methoxy-5-nitrophenyl)methoxy]-3-methylpiperidine has a molecular weight of 280.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-5-nitrophenyl)methoxy]-3-methylpiperidine is sourced from PubChem (CID 107385743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).