4-methoxy-1-(5-methoxy-4-methyl-2-nitrophenyl)piperidine

C14H20N2O4 — CID 122141995

IUPAC4-methoxy-1-(5-methoxy-4-methyl-2-nitrophenyl)piperidine
SMILESCOc1cc(N2CCC(OC)CC2)c([N+](=O)[O-])cc1C
InChIInChI=1S/C14H20N2O4/c1-10-8-13(16(17)18)12(9-14(10)20-3)15-6-4-11(19-2)5-7-15/h8-9,11H,4-7H2,1-3H3
InChIKeyKQBHGMUWFWHVGV-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.53
Rot. Bonds4

About 4-methoxy-1-(5-methoxy-4-methyl-2-nitrophenyl)piperidine

4-methoxy-1-(5-methoxy-4-methyl-2-nitrophenyl)piperidine (PubChem CID 122141995) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-methoxy-1-(5-methoxy-4-methyl-2-nitrophenyl)piperidine.

Molecular Properties

Compound Name4-methoxy-1-(5-methoxy-4-methyl-2-nitrophenyl)piperidine
PubChem CID122141995
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-methoxy-1-(5-methoxy-4-methyl-2-nitrophenyl)piperidine
SMILESCOc1cc(N2CCC(OC)CC2)c([N+](=O)[O-])cc1C
InChIInChI=1S/C14H20N2O4/c1-10-8-13(16(17)18)12(9-14(10)20-3)15-6-4-11(19-2)5-7-15/h8-9,11H,4-7H2,1-3H3
InChIKeyKQBHGMUWFWHVGV-UHFFFAOYSA-N
XLogP2.53
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.53
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-(4,5-dimethoxy-2-nitrophenyl)pyrrolidine
CID 616606
1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 63598851
1-[4-(chloromethyl)-2-nitrophenyl]-4-methoxypiperidine
CID 43373094
1-[1-(azetidin-3-yl)piperidin-4-yl]-4-[1-(5-methoxy-2-methyl-4-nitrophenyl)piperidin-4-yl]piperazine
CID 164853481
ethyl 2-methoxy-4-(4-methylpiperidin-1-yl)-5-nitrobenzoate
CID 50879139
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63597808
1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-4-amine
CID 107260420
1-(4,5-dimethoxy-2-nitrophenyl)piperidin-3-amine
CID 83007937
1-(4-fluoro-5-methoxy-2-nitrophenyl)-3-prop-2-enoxypyrrolidine
CID 133465324
1-(2-chloro-4-nitrophenyl)-4-methoxypiperidine
CID 175290845
1-(2-chloro-5-methoxy-4-nitrophenyl)piperidin-4-ol
CID 130270921
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)pyrrolidin-3-yl]ethanamine
CID 103976874

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(5-methoxy-4-methyl-2-nitrophenyl)piperidine?
The IUPAC name of 4-methoxy-1-(5-methoxy-4-methyl-2-nitrophenyl)piperidine (CID 122141995) is 4-methoxy-1-(5-methoxy-4-methyl-2-nitrophenyl)piperidine.
What is the SMILES notation for 4-methoxy-1-(5-methoxy-4-methyl-2-nitrophenyl)piperidine?
The canonical SMILES for 4-methoxy-1-(5-methoxy-4-methyl-2-nitrophenyl)piperidine is COc1cc(N2CCC(OC)CC2)c([N+](=O)[O-])cc1C.
What is the InChIKey of 4-methoxy-1-(5-methoxy-4-methyl-2-nitrophenyl)piperidine?
The InChIKey is KQBHGMUWFWHVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-8-13(16(17)18)12(9-14(10)20-3)15-6-4-11(19-2)5-7-15/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 4-methoxy-1-(5-methoxy-4-methyl-2-nitrophenyl)piperidine?
4-methoxy-1-(5-methoxy-4-methyl-2-nitrophenyl)piperidine has a molecular weight of 280.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(5-methoxy-4-methyl-2-nitrophenyl)piperidine is sourced from PubChem (CID 122141995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).