1-(4-ethyl-2-nitrophenyl)-4-(2-methoxyphenyl)piperidine

C20H24N2O3 — CID 71171497

IUPAC1-(4-ethyl-2-nitrophenyl)-4-(2-methoxyphenyl)piperidine
SMILESCCc1ccc(N2CCC(c3ccccc3OC)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H24N2O3/c1-3-15-8-9-18(19(14-15)22(23)24)21-12-10-16(11-13-21)17-6-4-5-7-20(17)25-2/h4-9,14,16H,3,10-13H2,1-2H3
InChIKeyZYSTVPHRSCRQFZ-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.55
Rot. Bonds5

About 1-(4-ethyl-2-nitrophenyl)-4-(2-methoxyphenyl)piperidine

1-(4-ethyl-2-nitrophenyl)-4-(2-methoxyphenyl)piperidine (PubChem CID 71171497) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(4-ethyl-2-nitrophenyl)-4-(2-methoxyphenyl)piperidine.

Molecular Properties

Compound Name1-(4-ethyl-2-nitrophenyl)-4-(2-methoxyphenyl)piperidine
PubChem CID71171497
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-(4-ethyl-2-nitrophenyl)-4-(2-methoxyphenyl)piperidine
SMILESCCc1ccc(N2CCC(c3ccccc3OC)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H24N2O3/c1-3-15-8-9-18(19(14-15)22(23)24)21-12-10-16(11-13-21)17-6-4-5-7-20(17)25-2/h4-9,14,16H,3,10-13H2,1-2H3
InChIKeyZYSTVPHRSCRQFZ-UHFFFAOYSA-N
XLogP4.55
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.55
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2-nitrophenyl)-4-(2-methoxyphenyl)piperidine?
The IUPAC name of 1-(4-ethyl-2-nitrophenyl)-4-(2-methoxyphenyl)piperidine (CID 71171497) is 1-(4-ethyl-2-nitrophenyl)-4-(2-methoxyphenyl)piperidine.
What is the SMILES notation for 1-(4-ethyl-2-nitrophenyl)-4-(2-methoxyphenyl)piperidine?
The canonical SMILES for 1-(4-ethyl-2-nitrophenyl)-4-(2-methoxyphenyl)piperidine is CCc1ccc(N2CCC(c3ccccc3OC)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-ethyl-2-nitrophenyl)-4-(2-methoxyphenyl)piperidine?
The InChIKey is ZYSTVPHRSCRQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-15-8-9-18(19(14-15)22(23)24)21-12-10-16(11-13-21)17-6-4-5-7-20(17)25-2/h4-9,14,16H,3,10-13H2,1-2H3.
What are the key properties of 1-(4-ethyl-2-nitrophenyl)-4-(2-methoxyphenyl)piperidine?
1-(4-ethyl-2-nitrophenyl)-4-(2-methoxyphenyl)piperidine has a molecular weight of 340.42 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2-nitrophenyl)-4-(2-methoxyphenyl)piperidine is sourced from PubChem (CID 71171497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).