(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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Related Compounds

CID 1377125
CID 1377125
CID 3084878
CID 3084878
CID 1203198
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CID 3287045
CID 3287045
CID 4305878
CID 4305878
CID 764356
CID 764356
CID 2925260
CID 2925260
CID 1377237
CID 1377237
CID 3809674
CID 3809674
CID 45261303
CID 45261303
CID 73351073
CID 73351073
CID 73351074
CID 73351074

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).