1-(2-nitrophenyl)-3-phenylmethoxypiperidine

C18H20N2O3 — CID 166130248

IUPAC1-(2-nitrophenyl)-3-phenylmethoxypiperidine
SMILESO=[N+]([O-])c1ccccc1N1CCCC(OCc2ccccc2)C1
InChIInChI=1S/C18H20N2O3/c21-20(22)18-11-5-4-10-17(18)19-12-6-9-16(13-19)23-14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2
InChIKeyKHRWLQHIVKWXJG-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.78
Rot. Bonds5

About 1-(2-nitrophenyl)-3-phenylmethoxypiperidine

1-(2-nitrophenyl)-3-phenylmethoxypiperidine (PubChem CID 166130248) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-3-phenylmethoxypiperidine.

Molecular Properties

Compound Name1-(2-nitrophenyl)-3-phenylmethoxypiperidine
PubChem CID166130248
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-(2-nitrophenyl)-3-phenylmethoxypiperidine
SMILESO=[N+]([O-])c1ccccc1N1CCCC(OCc2ccccc2)C1
InChIInChI=1S/C18H20N2O3/c21-20(22)18-11-5-4-10-17(18)19-12-6-9-16(13-19)23-14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2
InChIKeyKHRWLQHIVKWXJG-UHFFFAOYSA-N
XLogP3.78
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.78
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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Related Compounds

2-(3-phenylmethoxypiperidin-1-yl)aniline
CID 172691855
[(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol
CID 33291102
4-benzyl-1-(2-nitrophenyl)piperidine
CID 7923050
2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide
CID 133355894
3-ethoxy-1-(4-iodo-2-nitrophenyl)piperidine
CID 133274314
4-ethoxy-1-(2-nitrophenyl)piperidine
CID 133271369
3-(3-ethoxypiperidin-1-yl)-2-nitroaniline
CID 80805662
(3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide
CID 7123107
1-[2-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 60585036
2-(3-ethoxypiperidin-1-yl)-3-nitropyridine
CID 133274264
1-benzyl-4-(2-nitrophenyl)piperazin-1-ium
CID 7923019
1-benzyl-4-(2-nitrophenyl)piperazine
CID 518171

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-3-phenylmethoxypiperidine?
The IUPAC name of 1-(2-nitrophenyl)-3-phenylmethoxypiperidine (CID 166130248) is 1-(2-nitrophenyl)-3-phenylmethoxypiperidine.
What is the SMILES notation for 1-(2-nitrophenyl)-3-phenylmethoxypiperidine?
The canonical SMILES for 1-(2-nitrophenyl)-3-phenylmethoxypiperidine is O=[N+]([O-])c1ccccc1N1CCCC(OCc2ccccc2)C1.
What is the InChIKey of 1-(2-nitrophenyl)-3-phenylmethoxypiperidine?
The InChIKey is KHRWLQHIVKWXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-20(22)18-11-5-4-10-17(18)19-12-6-9-16(13-19)23-14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2.
What are the key properties of 1-(2-nitrophenyl)-3-phenylmethoxypiperidine?
1-(2-nitrophenyl)-3-phenylmethoxypiperidine has a molecular weight of 312.37 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-3-phenylmethoxypiperidine is sourced from PubChem (CID 166130248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).