4-(2-methoxyphenyl)-1-[(3-nitrophenyl)methyl]piperidine

C19H22N2O3 — CID 2802692

IUPAC4-(2-methoxyphenyl)-1-[(3-nitrophenyl)methyl]piperidine
SMILESCOc1ccccc1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C19H22N2O3/c1-24-19-8-3-2-7-18(19)16-9-11-20(12-10-16)14-15-5-4-6-17(13-15)21(22)23/h2-8,13,16H,9-12,14H2,1H3
InChIKeyKYPTXCAQGNANPZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.98
Rot. Bonds5

About 4-(2-methoxyphenyl)-1-[(3-nitrophenyl)methyl]piperidine

4-(2-methoxyphenyl)-1-[(3-nitrophenyl)methyl]piperidine (PubChem CID 2802692) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-[(3-nitrophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-[(3-nitrophenyl)methyl]piperidine
PubChem CID2802692
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-(2-methoxyphenyl)-1-[(3-nitrophenyl)methyl]piperidine
SMILESCOc1ccccc1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C19H22N2O3/c1-24-19-8-3-2-7-18(19)16-9-11-20(12-10-16)14-15-5-4-6-17(13-15)21(22)23/h2-8,13,16H,9-12,14H2,1H3
InChIKeyKYPTXCAQGNANPZ-UHFFFAOYSA-N
XLogP3.98
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.98
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-[(3-nitrophenyl)methyl]piperidine?
The IUPAC name of 4-(2-methoxyphenyl)-1-[(3-nitrophenyl)methyl]piperidine (CID 2802692) is 4-(2-methoxyphenyl)-1-[(3-nitrophenyl)methyl]piperidine.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-[(3-nitrophenyl)methyl]piperidine?
The canonical SMILES for 4-(2-methoxyphenyl)-1-[(3-nitrophenyl)methyl]piperidine is COc1ccccc1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-[(3-nitrophenyl)methyl]piperidine?
The InChIKey is KYPTXCAQGNANPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-24-19-8-3-2-7-18(19)16-9-11-20(12-10-16)14-15-5-4-6-17(13-15)21(22)23/h2-8,13,16H,9-12,14H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-1-[(3-nitrophenyl)methyl]piperidine?
4-(2-methoxyphenyl)-1-[(3-nitrophenyl)methyl]piperidine has a molecular weight of 326.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-[(3-nitrophenyl)methyl]piperidine is sourced from PubChem (CID 2802692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).