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

C14H20N2O3 — CID 107385834

IUPAC3-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine
SMILESCc1c(COC2(C)CCCNC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-11-12(5-3-6-13(11)16(17)18)9-19-14(2)7-4-8-15-10-14/h3,5-6,15H,4,7-10H2,1-2H3
InChIKeyZYNMAMTVCMDTIJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.56
Rot. Bonds4

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

3-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine (PubChem CID 107385834) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine.

Molecular Properties

Compound Name3-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine
PubChem CID107385834
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine
SMILESCc1c(COC2(C)CCCNC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-11-12(5-3-6-13(11)16(17)18)9-19-14(2)7-4-8-15-10-14/h3,5-6,15H,4,7-10H2,1-2H3
InChIKeyZYNMAMTVCMDTIJ-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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

3-[(2-chloro-6-nitrophenyl)methoxy]-3-methylpiperidine
CID 107385790
3-[(2-chlorophenyl)methoxy]-3-methylpiperidine
CID 107385905
N,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine
CID 83113145
3-[(3-methoxy-5-nitrophenyl)methoxy]-3-methylpiperidine
CID 107385743
3-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylpiperidine
CID 107385847
3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 63131107
3-[(3-bromophenyl)methoxy]-3-methylpiperidine
CID 107385756
4-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine
CID 102954275
(E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine
CID 60523382
1-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene
CID 15058786
[1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62517939
3-methyl-3-[(4-nitrophenyl)methoxy]azetidine
CID 83067251

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine?
The IUPAC name of 3-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine (CID 107385834) is 3-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine.
What is the SMILES notation for 3-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine?
The canonical SMILES for 3-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine is Cc1c(COC2(C)CCCNC2)cccc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine?
The InChIKey is ZYNMAMTVCMDTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-12(5-3-6-13(11)16(17)18)9-19-14(2)7-4-8-15-10-14/h3,5-6,15H,4,7-10H2,1-2H3.
What are the key properties of 3-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine?
3-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine has a molecular weight of 264.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]piperidine is sourced from PubChem (CID 107385834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).