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

C19H22N2O3 — CID 142930452

IUPAC4-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)piperidine
SMILESCOc1ccccc1C1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H22N2O3/c1-14-7-8-17(18(13-14)21(22)23)20-11-9-15(10-12-20)16-5-3-4-6-19(16)24-2/h3-8,13,15H,9-12H2,1-2H3
InChIKeyKOCAVDPBZCQDQL-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.30
Rot. Bonds4

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

4-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)piperidine (PubChem CID 142930452) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)piperidine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)piperidine
PubChem CID142930452
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)piperidine
SMILESCOc1ccccc1C1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H22N2O3/c1-14-7-8-17(18(13-14)21(22)23)20-11-9-15(10-12-20)16-5-3-4-6-19(16)24-2/h3-8,13,15H,9-12H2,1-2H3
InChIKeyKOCAVDPBZCQDQL-UHFFFAOYSA-N
XLogP4.30
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.30
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 4-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)piperidine?
The IUPAC name of 4-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)piperidine (CID 142930452) is 4-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)piperidine.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)piperidine?
The canonical SMILES for 4-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)piperidine is COc1ccccc1C1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)piperidine?
The InChIKey is KOCAVDPBZCQDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-7-8-17(18(13-14)21(22)23)20-11-9-15(10-12-20)16-5-3-4-6-19(16)24-2/h3-8,13,15H,9-12H2,1-2H3.
What are the key properties of 4-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)piperidine?
4-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)piperidine has a molecular weight of 326.40 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-(4-methyl-2-nitrophenyl)piperidine is sourced from PubChem (CID 142930452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).