4-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine

C14H20N2O3 — CID 102954275

IUPAC4-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine
SMILESCc1c(COC2CNCCC2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-10-6-7-15-8-14(10)19-9-12-4-3-5-13(11(12)2)16(17)18/h3-5,10,14-15H,6-9H2,1-2H3
InChIKeyBVZOWZKFHBNUSM-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.42
Rot. Bonds4

About 4-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine

4-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine (PubChem CID 102954275) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine.

Molecular Properties

Compound Name4-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine
PubChem CID102954275
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine
SMILESCc1c(COC2CNCCC2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-10-6-7-15-8-14(10)19-9-12-4-3-5-13(11(12)2)16(17)18/h3-5,10,14-15H,6-9H2,1-2H3
InChIKeyBVZOWZKFHBNUSM-UHFFFAOYSA-N
XLogP2.42
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
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-[(4-methylpiperidin-3-yl)oxymethyl]benzamide
CID 102954062
N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 103109325
4-methyl-3-phenylmethoxypiperidine
CID 102954119
3-[2-(2-methyl-3-nitrophenoxy)ethyl]pyrrolidine
CID 114796519
4-[(2-nitrophenyl)methoxy]piperidine
CID 43346289
2-methyl-6-(4-methylpiperidin-3-yl)oxy-3-nitropyridine
CID 102954630
3-[(3-methoxy-5-nitrophenyl)methoxy]-4-methylpiperidine
CID 102954203
3-[(2-methyl-3-nitrophenyl)methylsulfanylmethyl]azetidine
CID 66290319
3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine
CID 107349946
3-(3-fluoro-2-nitrophenoxy)-4-methylpiperidine
CID 102954747
3-(2,4-dinitrophenoxy)-4-methylpiperidine
CID 102954668
3-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine
CID 107385834

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine?
The IUPAC name of 4-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine (CID 102954275) is 4-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine.
What is the SMILES notation for 4-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine?
The canonical SMILES for 4-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine is Cc1c(COC2CNCCC2C)cccc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine?
The InChIKey is BVZOWZKFHBNUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-6-7-15-8-14(10)19-9-12-4-3-5-13(11(12)2)16(17)18/h3-5,10,14-15H,6-9H2,1-2H3.
What are the key properties of 4-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine?
4-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine has a molecular weight of 264.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine is sourced from PubChem (CID 102954275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).