4-benzyl-1-(2-nitrophenyl)piperidine

C18H20N2O2 — CID 7923050

IUPAC4-benzyl-1-(2-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1ccccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H20N2O2/c21-20(22)18-9-5-4-8-17(18)19-12-10-16(11-13-19)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKeyQMXGFFBMALEHGS-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.05
Rot. Bonds4

About 4-benzyl-1-(2-nitrophenyl)piperidine

4-benzyl-1-(2-nitrophenyl)piperidine (PubChem CID 7923050) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-benzyl-1-(2-nitrophenyl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(2-nitrophenyl)piperidine
PubChem CID7923050
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-benzyl-1-(2-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1ccccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H20N2O2/c21-20(22)18-9-5-4-8-17(18)19-12-10-16(11-13-19)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKeyQMXGFFBMALEHGS-UHFFFAOYSA-N
XLogP4.05
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-(4-benzylpiperidin-1-yl)-3-nitrobenzoic acid
CID 23826216
1-benzyl-4-(2-nitrophenyl)piperazin-1-ium
CID 7923019
1-benzyl-4-(2-nitrophenyl)piperazine
CID 518171
4-[2-[1-(2-nitrophenyl)piperidin-4-yl]ethyl]phenol
CID 47089481
2-(4-benzylpiperidin-1-yl)benzaldehyde
CID 43167857
1-(4-benzylpiperidin-1-yl)-2-(2-nitrophenyl)ethanone
CID 3386923
4-benzyl-1-(3-nitrophenyl)piperidine
CID 11652301
4-ethoxy-1-(2-nitrophenyl)piperidine
CID 133271369
4-benzyl-1-(2-methyl-3-nitrophenyl)sulfonylpiperidine
CID 46573482
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-nitroaniline
CID 10594240
[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338
4-benzyl-1-(2-methyl-5-nitro-1,2,4-triazol-3-yl)piperidine
CID 3781447

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(2-nitrophenyl)piperidine?
The IUPAC name of 4-benzyl-1-(2-nitrophenyl)piperidine (CID 7923050) is 4-benzyl-1-(2-nitrophenyl)piperidine.
What is the SMILES notation for 4-benzyl-1-(2-nitrophenyl)piperidine?
The canonical SMILES for 4-benzyl-1-(2-nitrophenyl)piperidine is O=[N+]([O-])c1ccccc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-(2-nitrophenyl)piperidine?
The InChIKey is QMXGFFBMALEHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-20(22)18-9-5-4-8-17(18)19-12-10-16(11-13-19)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2.
What are the key properties of 4-benzyl-1-(2-nitrophenyl)piperidine?
4-benzyl-1-(2-nitrophenyl)piperidine has a molecular weight of 296.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(2-nitrophenyl)piperidine is sourced from PubChem (CID 7923050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).