(Z,2S,5S)-1,2,5-trimethyl-N-(2-nitrophenoxy)piperidin-4-imine

C14H19N3O3 — CID 7427531

IUPAC(Z,2S,5S)-1,2,5-trimethyl-N-(2-nitrophenoxy)piperidin-4-imine
SMILESC[C@H]1CN(C)[C@@H](C)C/C1=N/Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3/c1-10-9-16(3)11(2)8-12(10)15-20-14-7-5-4-6-13(14)17(18)19/h4-7,10-11H,8-9H2,1-3H3/b15-12-/t10-,11-/m0/s1
InChIKeyUQBBTDSGUQJIBT-GTNCLJFYSA-N
MW277.32 g/mol
LogP2.69
Rot. Bonds3

About (Z,2S,5S)-1,2,5-trimethyl-N-(2-nitrophenoxy)piperidin-4-imine

(Z,2S,5S)-1,2,5-trimethyl-N-(2-nitrophenoxy)piperidin-4-imine (PubChem CID 7427531) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (Z,2S,5S)-1,2,5-trimethyl-N-(2-nitrophenoxy)piperidin-4-imine.

Molecular Properties

Compound Name(Z,2S,5S)-1,2,5-trimethyl-N-(2-nitrophenoxy)piperidin-4-imine
PubChem CID7427531
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(Z,2S,5S)-1,2,5-trimethyl-N-(2-nitrophenoxy)piperidin-4-imine
SMILESC[C@H]1CN(C)[C@@H](C)C/C1=N/Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O3/c1-10-9-16(3)11(2)8-12(10)15-20-14-7-5-4-6-13(14)17(18)19/h4-7,10-11H,8-9H2,1-3H3/b15-12-/t10-,11-/m0/s1
InChIKeyUQBBTDSGUQJIBT-GTNCLJFYSA-N
XLogP2.69
TPSA67.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2,5-trimethyl-N-(2-nitrophenoxy)piperidin-4-imine chloride
CID 53350683
N-(2-nitrophenoxy)cycloheptanimine
CID 54392329
(2R,5R)-1,2,5-trimethyl-N-(2-methylphenyl)piperidin-4-imine
CID 6543612
2-methyl-1-(2-nitrophenoxy)piperidine
CID 12720965
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
1-azidooxy-2-nitrobenzene
CID 134977485
1,2,5-trimethyl-N-(2-nitrophenyl)piperidin-4-amine
CID 43718239
2-methoxy-3-(2-nitrophenoxy)cyclobutan-1-one
CID 104673346
CID 174580034
CID 174580034
(1R)-3-methyl-9-(3-nitro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
CID 126823562
[methyl-(2-nitrophenoxy)phosphoryl] dihydrogen phosphate
CID 101078383
2-(2-methylaziridin-1-yl)-3-nitropyridine
CID 10921096

Frequently Asked Questions

What is the IUPAC name of (Z,2S,5S)-1,2,5-trimethyl-N-(2-nitrophenoxy)piperidin-4-imine?
The IUPAC name of (Z,2S,5S)-1,2,5-trimethyl-N-(2-nitrophenoxy)piperidin-4-imine (CID 7427531) is (Z,2S,5S)-1,2,5-trimethyl-N-(2-nitrophenoxy)piperidin-4-imine.
What is the SMILES notation for (Z,2S,5S)-1,2,5-trimethyl-N-(2-nitrophenoxy)piperidin-4-imine?
The canonical SMILES for (Z,2S,5S)-1,2,5-trimethyl-N-(2-nitrophenoxy)piperidin-4-imine is C[C@H]1CN(C)[C@@H](C)C/C1=N/Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of (Z,2S,5S)-1,2,5-trimethyl-N-(2-nitrophenoxy)piperidin-4-imine?
The InChIKey is UQBBTDSGUQJIBT-GTNCLJFYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-9-16(3)11(2)8-12(10)15-20-14-7-5-4-6-13(14)17(18)19/h4-7,10-11H,8-9H2,1-3H3/b15-12-/t10-,11-/m0/s1.
What are the key properties of (Z,2S,5S)-1,2,5-trimethyl-N-(2-nitrophenoxy)piperidin-4-imine?
(Z,2S,5S)-1,2,5-trimethyl-N-(2-nitrophenoxy)piperidin-4-imine has a molecular weight of 277.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,5S)-1,2,5-trimethyl-N-(2-nitrophenoxy)piperidin-4-imine is sourced from PubChem (CID 7427531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).