1-(5-chloro-2-nitrophenyl)piperidine

C11H13ClN2O2 — CID 3096079

IUPAC1-(5-chloro-2-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1ccc(Cl)cc1N1CCCCC1
InChIInChI=1S/C11H13ClN2O2/c12-9-4-5-10(14(15)16)11(8-9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKeyMTVDYRBCOYNKQA-UHFFFAOYSA-N
MW240.69 g/mol
LogP3.24
Rot. Bonds2

About 1-(5-chloro-2-nitrophenyl)piperidine

1-(5-chloro-2-nitrophenyl)piperidine (PubChem CID 3096079) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-(5-chloro-2-nitrophenyl)piperidine.

Molecular Properties

Compound Name1-(5-chloro-2-nitrophenyl)piperidine
PubChem CID3096079
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name1-(5-chloro-2-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1ccc(Cl)cc1N1CCCCC1
InChIInChI=1S/C11H13ClN2O2/c12-9-4-5-10(14(15)16)11(8-9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKeyMTVDYRBCOYNKQA-UHFFFAOYSA-N
XLogP3.24
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.24
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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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-nitrophenyl)piperidine?
The IUPAC name of 1-(5-chloro-2-nitrophenyl)piperidine (CID 3096079) is 1-(5-chloro-2-nitrophenyl)piperidine.
What is the SMILES notation for 1-(5-chloro-2-nitrophenyl)piperidine?
The canonical SMILES for 1-(5-chloro-2-nitrophenyl)piperidine is O=[N+]([O-])c1ccc(Cl)cc1N1CCCCC1.
What is the InChIKey of 1-(5-chloro-2-nitrophenyl)piperidine?
The InChIKey is MTVDYRBCOYNKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-9-4-5-10(14(15)16)11(8-9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2.
What are the key properties of 1-(5-chloro-2-nitrophenyl)piperidine?
1-(5-chloro-2-nitrophenyl)piperidine has a molecular weight of 240.69 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-nitrophenyl)piperidine is sourced from PubChem (CID 3096079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).