ethane;1-(2-nitrophenyl)piperidine

C13H20N2O2 — CID 177332919

IUPACethane;1-(2-nitrophenyl)piperidine
SMILESCC.O=[N+]([O-])c1ccccc1N1CCCCC1
InChIInChI=1S/C11H14N2O2.C2H6/c14-13(15)11-7-3-2-6-10(11)12-8-4-1-5-9-12;1-2/h2-3,6-7H,1,4-5,8-9H2;1-2H3
InChIKeyVNUYEMQGUIHNEU-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.61
Rot. Bonds2

About ethane;1-(2-nitrophenyl)piperidine

ethane;1-(2-nitrophenyl)piperidine (PubChem CID 177332919) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethane;1-(2-nitrophenyl)piperidine.

Molecular Properties

Compound Nameethane;1-(2-nitrophenyl)piperidine
PubChem CID177332919
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameethane;1-(2-nitrophenyl)piperidine
SMILESCC.O=[N+]([O-])c1ccccc1N1CCCCC1
InChIInChI=1S/C11H14N2O2.C2H6/c14-13(15)11-7-3-2-6-10(11)12-8-4-1-5-9-12;1-2/h2-3,6-7H,1,4-5,8-9H2;1-2H3
InChIKeyVNUYEMQGUIHNEU-UHFFFAOYSA-N
XLogP3.61
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.61
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

ethane;1-methyl-4-(2-nitrophenyl)-1,4-diazepane
CID 91421096
1-(5-nitronaphthalen-1-yl)pyrrolidine
CID 168514332
[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338
5-fluoro-5-nitrocyclohexa-1,3-diene;1-(2-nitrophenyl)pyrrolidine
CID 159678850
azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 78803930
1-(2,4-dinitrophenyl)azepane
CID 2731658
1-(2,4-dinitrophenyl)azocane
CID 9311675
N-[(2R)-3-methylbutan-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 40809904
1-(4-chloro-2-nitrophenyl)piperidine
CID 160686778
(3R,5R)-3,5-dimethyl-1-(2-nitrophenyl)piperazine
CID 7059973
2-[4-(2-nitrophenyl)piperazin-1-yl]propanenitrile
CID 60641587
4-ethoxy-1-(2-nitrophenyl)piperidine
CID 133271369

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-nitrophenyl)piperidine?
The IUPAC name of ethane;1-(2-nitrophenyl)piperidine (CID 177332919) is ethane;1-(2-nitrophenyl)piperidine.
What is the SMILES notation for ethane;1-(2-nitrophenyl)piperidine?
The canonical SMILES for ethane;1-(2-nitrophenyl)piperidine is CC.O=[N+]([O-])c1ccccc1N1CCCCC1.
What is the InChIKey of ethane;1-(2-nitrophenyl)piperidine?
The InChIKey is VNUYEMQGUIHNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.C2H6/c14-13(15)11-7-3-2-6-10(11)12-8-4-1-5-9-12;1-2/h2-3,6-7H,1,4-5,8-9H2;1-2H3.
What are the key properties of ethane;1-(2-nitrophenyl)piperidine?
ethane;1-(2-nitrophenyl)piperidine has a molecular weight of 236.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-nitrophenyl)piperidine is sourced from PubChem (CID 177332919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).