2-methyl-1-(2-nitrophenoxy)piperidine

C12H16N2O3 — CID 12720965

IUPAC2-methyl-1-(2-nitrophenoxy)piperidine
SMILESCC1CCCCN1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O3/c1-10-6-4-5-9-13(10)17-12-8-3-2-7-11(12)14(15)16/h2-3,7-8,10H,4-6,9H2,1H3
InChIKeyZTEVGKPJUVQWBZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.76
Rot. Bonds3

About 2-methyl-1-(2-nitrophenoxy)piperidine

2-methyl-1-(2-nitrophenoxy)piperidine (PubChem CID 12720965) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-methyl-1-(2-nitrophenoxy)piperidine.

Molecular Properties

Compound Name2-methyl-1-(2-nitrophenoxy)piperidine
PubChem CID12720965
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-methyl-1-(2-nitrophenoxy)piperidine
SMILESCC1CCCCN1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O3/c1-10-6-4-5-9-13(10)17-12-8-3-2-7-11(12)14(15)16/h2-3,7-8,10H,4-6,9H2,1H3
InChIKeyZTEVGKPJUVQWBZ-UHFFFAOYSA-N
XLogP2.76
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-(2-nitrophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 4943757
(2-nitrophenyl) N-propan-2-ylcarbamate
CID 11241573
1-ethyl-3-(2-nitrophenoxy)pyrrolidine
CID 68790701
1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone
CID 19169486
N-methyl-2-(2-nitrophenoxy)cyclohexan-1-amine
CID 102634561
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 38390679
(3S)-1-(2-nitrophenoxy)sulfonylpiperidine-3-carboxylate
CID 7771797
N-[3-(2-methylpiperidin-1-yl)propyl]-2-nitroaniline
CID 43080890
(2-chloro-3-nitrophenyl)-(2-methylpiperidin-1-yl)methanone
CID 112576207
N-[2-(2-nitrophenoxy)ethyl]-N-propan-2-ylcyclopentanamine
CID 56569942
[(2R)-2-[2-(2-nitrophenoxy)acetyl]pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174974109

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-nitrophenoxy)piperidine?
The IUPAC name of 2-methyl-1-(2-nitrophenoxy)piperidine (CID 12720965) is 2-methyl-1-(2-nitrophenoxy)piperidine.
What is the SMILES notation for 2-methyl-1-(2-nitrophenoxy)piperidine?
The canonical SMILES for 2-methyl-1-(2-nitrophenoxy)piperidine is CC1CCCCN1Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-1-(2-nitrophenoxy)piperidine?
The InChIKey is ZTEVGKPJUVQWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-10-6-4-5-9-13(10)17-12-8-3-2-7-11(12)14(15)16/h2-3,7-8,10H,4-6,9H2,1H3.
What are the key properties of 2-methyl-1-(2-nitrophenoxy)piperidine?
2-methyl-1-(2-nitrophenoxy)piperidine has a molecular weight of 236.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-nitrophenoxy)piperidine is sourced from PubChem (CID 12720965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).