1-(3-methoxy-4-nitrophenyl)-4-(2-methoxyphenyl)piperidine

C19H22N2O4 — CID 2728020

IUPAC1-(3-methoxy-4-nitrophenyl)-4-(2-methoxyphenyl)piperidine
SMILESCOc1ccccc1C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1
InChIInChI=1S/C19H22N2O4/c1-24-18-6-4-3-5-16(18)14-9-11-20(12-10-14)15-7-8-17(21(22)23)19(13-15)25-2/h3-8,13-14H,9-12H2,1-2H3
InChIKeyLMIVEWTZWMAZPS-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.00
Rot. Bonds5

About 1-(3-methoxy-4-nitrophenyl)-4-(2-methoxyphenyl)piperidine

1-(3-methoxy-4-nitrophenyl)-4-(2-methoxyphenyl)piperidine (PubChem CID 2728020) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(3-methoxy-4-nitrophenyl)-4-(2-methoxyphenyl)piperidine.

Molecular Properties

Compound Name1-(3-methoxy-4-nitrophenyl)-4-(2-methoxyphenyl)piperidine
PubChem CID2728020
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name1-(3-methoxy-4-nitrophenyl)-4-(2-methoxyphenyl)piperidine
SMILESCOc1ccccc1C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1
InChIInChI=1S/C19H22N2O4/c1-24-18-6-4-3-5-16(18)14-9-11-20(12-10-14)15-7-8-17(21(22)23)19(13-15)25-2/h3-8,13-14H,9-12H2,1-2H3
InChIKeyLMIVEWTZWMAZPS-UHFFFAOYSA-N
XLogP4.00
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-nitrophenyl)-4-(2-methoxyphenyl)piperidine?
The IUPAC name of 1-(3-methoxy-4-nitrophenyl)-4-(2-methoxyphenyl)piperidine (CID 2728020) is 1-(3-methoxy-4-nitrophenyl)-4-(2-methoxyphenyl)piperidine.
What is the SMILES notation for 1-(3-methoxy-4-nitrophenyl)-4-(2-methoxyphenyl)piperidine?
The canonical SMILES for 1-(3-methoxy-4-nitrophenyl)-4-(2-methoxyphenyl)piperidine is COc1ccccc1C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1.
What is the InChIKey of 1-(3-methoxy-4-nitrophenyl)-4-(2-methoxyphenyl)piperidine?
The InChIKey is LMIVEWTZWMAZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-18-6-4-3-5-16(18)14-9-11-20(12-10-14)15-7-8-17(21(22)23)19(13-15)25-2/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 1-(3-methoxy-4-nitrophenyl)-4-(2-methoxyphenyl)piperidine?
1-(3-methoxy-4-nitrophenyl)-4-(2-methoxyphenyl)piperidine has a molecular weight of 342.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-nitrophenyl)-4-(2-methoxyphenyl)piperidine is sourced from PubChem (CID 2728020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).