4-benzyl-1-(3-nitrophenyl)piperidine

C18H20N2O2 — CID 11652301

IUPAC4-benzyl-1-(3-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1cccc(N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C18H20N2O2/c21-20(22)18-8-4-7-17(14-18)19-11-9-16(10-12-19)13-15-5-2-1-3-6-15/h1-8,14,16H,9-13H2
InChIKeyRPFRWDJZSYYHJI-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.05
Rot. Bonds4

About 4-benzyl-1-(3-nitrophenyl)piperidine

4-benzyl-1-(3-nitrophenyl)piperidine (PubChem CID 11652301) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-benzyl-1-(3-nitrophenyl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(3-nitrophenyl)piperidine
PubChem CID11652301
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-benzyl-1-(3-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1cccc(N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C18H20N2O2/c21-20(22)18-8-4-7-17(14-18)19-11-9-16(10-12-19)13-15-5-2-1-3-6-15/h1-8,14,16H,9-13H2
InChIKeyRPFRWDJZSYYHJI-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

N-methyl-1-[1-(3-nitrophenyl)piperidin-4-yl]methanamine
CID 63249523
4-benzyl-1-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]piperidine
CID 3131954
N,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine
CID 59597620
1-(3-nitrophenyl)azetidine
CID 58663764
1-(3-nitrophenyl)pyrrolidine
CID 698267
4-benzyl-1-(2-nitrophenyl)piperidine
CID 7923050
1-[(3-nitrophenyl)methyl]-4-phenylpiperazine
CID 765516
1-(3-nitrophenyl)pyrrolidin-3-ol
CID 62917312
1-[1-(3-nitrophenyl)piperidin-4-yl]ethanamine
CID 55215914
4-benzyl-1-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]piperidin-1-ium
CID 7411188
1-(3-nitrophenyl)piperazine
CID 2760216
(4-benzylpiperidin-1-yl)-(4-nitrophenyl)methanone
CID 814715

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(3-nitrophenyl)piperidine?
The IUPAC name of 4-benzyl-1-(3-nitrophenyl)piperidine (CID 11652301) is 4-benzyl-1-(3-nitrophenyl)piperidine.
What is the SMILES notation for 4-benzyl-1-(3-nitrophenyl)piperidine?
The canonical SMILES for 4-benzyl-1-(3-nitrophenyl)piperidine is O=[N+]([O-])c1cccc(N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 4-benzyl-1-(3-nitrophenyl)piperidine?
The InChIKey is RPFRWDJZSYYHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-20(22)18-8-4-7-17(14-18)19-11-9-16(10-12-19)13-15-5-2-1-3-6-15/h1-8,14,16H,9-13H2.
What are the key properties of 4-benzyl-1-(3-nitrophenyl)piperidine?
4-benzyl-1-(3-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-(3-nitrophenyl)piperidine is sourced from PubChem (CID 11652301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).