1-methyl-4-(4-nitrophenoxy)-4-phenylpiperidine

C18H20N2O3 — CID 3060390

IUPAC1-methyl-4-(4-nitrophenoxy)-4-phenylpiperidine
SMILESCN1CCC(Oc2ccc([N+](=O)[O-])cc2)(c2ccccc2)CC1
InChIInChI=1S/C18H20N2O3/c1-19-13-11-18(12-14-19,15-5-3-2-4-6-15)23-17-9-7-16(8-10-17)20(21)22/h2-10H,11-14H2,1H3
InChIKeyFPKCHECNDCATAH-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.59
Rot. Bonds4

About 1-methyl-4-(4-nitrophenoxy)-4-phenylpiperidine

1-methyl-4-(4-nitrophenoxy)-4-phenylpiperidine (PubChem CID 3060390) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-methyl-4-(4-nitrophenoxy)-4-phenylpiperidine.

Molecular Properties

Compound Name1-methyl-4-(4-nitrophenoxy)-4-phenylpiperidine
PubChem CID3060390
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-methyl-4-(4-nitrophenoxy)-4-phenylpiperidine
SMILESCN1CCC(Oc2ccc([N+](=O)[O-])cc2)(c2ccccc2)CC1
InChIInChI=1S/C18H20N2O3/c1-19-13-11-18(12-14-19,15-5-3-2-4-6-15)23-17-9-7-16(8-10-17)20(21)22/h2-10H,11-14H2,1H3
InChIKeyFPKCHECNDCATAH-UHFFFAOYSA-N
XLogP3.59
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.59
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-methyl-4-(4-nitrophenoxy)-4-phenylpiperidine?
The IUPAC name of 1-methyl-4-(4-nitrophenoxy)-4-phenylpiperidine (CID 3060390) is 1-methyl-4-(4-nitrophenoxy)-4-phenylpiperidine.
What is the SMILES notation for 1-methyl-4-(4-nitrophenoxy)-4-phenylpiperidine?
The canonical SMILES for 1-methyl-4-(4-nitrophenoxy)-4-phenylpiperidine is CN1CCC(Oc2ccc([N+](=O)[O-])cc2)(c2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-(4-nitrophenoxy)-4-phenylpiperidine?
The InChIKey is FPKCHECNDCATAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-19-13-11-18(12-14-19,15-5-3-2-4-6-15)23-17-9-7-16(8-10-17)20(21)22/h2-10H,11-14H2,1H3.
What are the key properties of 1-methyl-4-(4-nitrophenoxy)-4-phenylpiperidine?
1-methyl-4-(4-nitrophenoxy)-4-phenylpiperidine has a molecular weight of 312.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-nitrophenoxy)-4-phenylpiperidine is sourced from PubChem (CID 3060390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).