4-(3-methoxy-4-nitrophenyl)-1-methylpiperidine

C13H18N2O3 — CID 83404378

IUPAC4-(3-methoxy-4-nitrophenyl)-1-methylpiperidine
SMILESCOc1cc(C2CCN(C)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O3/c1-14-7-5-10(6-8-14)11-3-4-12(15(16)17)13(9-11)18-2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyZNRCLEORQMTRQN-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.41
Rot. Bonds3

About 4-(3-methoxy-4-nitrophenyl)-1-methylpiperidine

4-(3-methoxy-4-nitrophenyl)-1-methylpiperidine (PubChem CID 83404378) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(3-methoxy-4-nitrophenyl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(3-methoxy-4-nitrophenyl)-1-methylpiperidine
PubChem CID83404378
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-(3-methoxy-4-nitrophenyl)-1-methylpiperidine
SMILESCOc1cc(C2CCN(C)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O3/c1-14-7-5-10(6-8-14)11-3-4-12(15(16)17)13(9-11)18-2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyZNRCLEORQMTRQN-UHFFFAOYSA-N
XLogP2.41
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.41
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

methanol;2-methoxy-4-[4-(4-methylpiperazin-1-yl)cyclohexyl]aniline;1-[4-(3-methoxy-4-nitrophenyl)cyclohexyl]-4-methylpiperazine
CID 167675929
4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine
CID 156561113
1-[[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]methyl]-4-methylpiperazine
CID 66710854
2-(3-methoxy-4-nitrophenyl)azepane
CID 113452612
(3S)-1-(3-methoxy-4-nitrophenyl)pyrrolidin-3-ol
CID 71301761
1,2-dimethyl-4-[4-(3-methyl-4-nitrophenyl)cyclohexyl]benzene
CID 122632001
1-(3-methoxy-4-nitrophenyl)-2,5-dihydropyrrole
CID 175593834
3-[4-(4-chlorophenyl)piperidin-1-yl]-1-[4-(3-methoxy-4-nitroanilino)piperidin-1-yl]propan-1-one
CID 58577234
1-(3-methoxy-4-nitrophenyl)-4-(trifluoromethyl)piperidine
CID 154791771
3-(4-methoxy-3-nitrophenyl)azetidine;hydrochloride
CID 131879443
N-[(5-bromo-4-methoxy-2-nitrophenyl)methyl]-1-methylpiperidin-4-amine
CID 170334501
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-nitrophenyl)-1-methylpiperidine?
The IUPAC name of 4-(3-methoxy-4-nitrophenyl)-1-methylpiperidine (CID 83404378) is 4-(3-methoxy-4-nitrophenyl)-1-methylpiperidine.
What is the SMILES notation for 4-(3-methoxy-4-nitrophenyl)-1-methylpiperidine?
The canonical SMILES for 4-(3-methoxy-4-nitrophenyl)-1-methylpiperidine is COc1cc(C2CCN(C)CC2)ccc1[N+](=O)[O-].
What is the InChIKey of 4-(3-methoxy-4-nitrophenyl)-1-methylpiperidine?
The InChIKey is ZNRCLEORQMTRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-14-7-5-10(6-8-14)11-3-4-12(15(16)17)13(9-11)18-2/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 4-(3-methoxy-4-nitrophenyl)-1-methylpiperidine?
4-(3-methoxy-4-nitrophenyl)-1-methylpiperidine has a molecular weight of 250.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-nitrophenyl)-1-methylpiperidine is sourced from PubChem (CID 83404378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).