(4,5-dimethoxy-2-nitrophenyl)methyl 2,6-dimethylpiperidine-1-carboxylate

C17H24N2O6 — CID 59301261

IUPAC(4,5-dimethoxy-2-nitrophenyl)methyl 2,6-dimethylpiperidine-1-carboxylate
SMILESCOc1cc(COC(=O)N2C(C)CCCC2C)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H24N2O6/c1-11-6-5-7-12(2)18(11)17(20)25-10-13-8-15(23-3)16(24-4)9-14(13)19(21)22/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyGXPGUGRGRLIUPX-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.51
Rot. Bonds5

About (4,5-dimethoxy-2-nitrophenyl)methyl 2,6-dimethylpiperidine-1-carboxylate

(4,5-dimethoxy-2-nitrophenyl)methyl 2,6-dimethylpiperidine-1-carboxylate (PubChem CID 59301261) has the molecular formula C17H24N2O6 and a molecular weight of 352.39 g/mol. Its IUPAC name is (4,5-dimethoxy-2-nitrophenyl)methyl 2,6-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Name(4,5-dimethoxy-2-nitrophenyl)methyl 2,6-dimethylpiperidine-1-carboxylate
PubChem CID59301261
Molecular FormulaC17H24N2O6
Molecular Weight352.39 g/mol
Exact Mass352.16
IUPAC Name(4,5-dimethoxy-2-nitrophenyl)methyl 2,6-dimethylpiperidine-1-carboxylate
SMILESCOc1cc(COC(=O)N2C(C)CCCC2C)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H24N2O6/c1-11-6-5-7-12(2)18(11)17(20)25-10-13-8-15(23-3)16(24-4)9-14(13)19(21)22/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyGXPGUGRGRLIUPX-UHFFFAOYSA-N
XLogP3.51
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (4,5-dimethoxy-2-nitrophenyl)methyl 2,6-dimethylpiperidine-1-carboxylate?
The IUPAC name of (4,5-dimethoxy-2-nitrophenyl)methyl 2,6-dimethylpiperidine-1-carboxylate (CID 59301261) is (4,5-dimethoxy-2-nitrophenyl)methyl 2,6-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for (4,5-dimethoxy-2-nitrophenyl)methyl 2,6-dimethylpiperidine-1-carboxylate?
The canonical SMILES for (4,5-dimethoxy-2-nitrophenyl)methyl 2,6-dimethylpiperidine-1-carboxylate is COc1cc(COC(=O)N2C(C)CCCC2C)c([N+](=O)[O-])cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-nitrophenyl)methyl 2,6-dimethylpiperidine-1-carboxylate?
The InChIKey is GXPGUGRGRLIUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6/c1-11-6-5-7-12(2)18(11)17(20)25-10-13-8-15(23-3)16(24-4)9-14(13)19(21)22/h8-9,11-12H,5-7,10H2,1-4H3.
What are the key properties of (4,5-dimethoxy-2-nitrophenyl)methyl 2,6-dimethylpiperidine-1-carboxylate?
(4,5-dimethoxy-2-nitrophenyl)methyl 2,6-dimethylpiperidine-1-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-nitrophenyl)methyl 2,6-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 59301261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).