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

C11H13ClN2O2 — CID 131335859

IUPAC(2S)-2-(5-chloro-2-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1ccc(Cl)cc1[C@@H]1CCCCN1
InChIInChI=1S/C11H13ClN2O2/c12-8-4-5-11(14(15)16)9(7-8)10-3-1-2-6-13-10/h4-5,7,10,13H,1-3,6H2/t10-/m0/s1
InChIKeyOMMMEEYKSCHFCO-JTQLQIEISA-N
MW240.69 g/mol
LogP3.06
Rot. Bonds2

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

(2S)-2-(5-chloro-2-nitrophenyl)piperidine (PubChem CID 131335859) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is (2S)-2-(5-chloro-2-nitrophenyl)piperidine.

Molecular Properties

Compound Name(2S)-2-(5-chloro-2-nitrophenyl)piperidine
PubChem CID131335859
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name(2S)-2-(5-chloro-2-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1ccc(Cl)cc1[C@@H]1CCCCN1
InChIInChI=1S/C11H13ClN2O2/c12-8-4-5-11(14(15)16)9(7-8)10-3-1-2-6-13-10/h4-5,7,10,13H,1-3,6H2/t10-/m0/s1
InChIKeyOMMMEEYKSCHFCO-JTQLQIEISA-N
XLogP3.06
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.06
H-Bond Donors ≤ 51
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

(2S)-2-(5-chloro-2-nitrophenyl)aziridine
CID 55263842
4-chloro-2-(5-chloro-2-nitrophenyl)piperidine
CID 10731076
(2S)-2-(5-chloro-2-nitrophenyl)piperazine;hydrochloride
CID 171193773
(3S)-3-(5-chloro-2-nitrophenyl)morpholine
CID 131335857
(2R)-2-(2-nitrophenyl)piperidine;hydrochloride
CID 171195300
4-chloro-2-cyclohexyl-1-nitrobenzene
CID 12007670
(2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride
CID 171195941
(2S)-2-(4-fluoro-2-nitrophenyl)piperidine
CID 131395482
2-(2,4-dinitrophenyl)azepane
CID 57177004
2-(4-fluoro-2-nitrophenyl)azepane
CID 113417343
(2R)-2-(4-fluoro-2-nitrophenyl)piperidine;hydrochloride
CID 171195482
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chloro-2-nitrophenyl)piperidine?
The IUPAC name of (2S)-2-(5-chloro-2-nitrophenyl)piperidine (CID 131335859) is (2S)-2-(5-chloro-2-nitrophenyl)piperidine.
What is the SMILES notation for (2S)-2-(5-chloro-2-nitrophenyl)piperidine?
The canonical SMILES for (2S)-2-(5-chloro-2-nitrophenyl)piperidine is O=[N+]([O-])c1ccc(Cl)cc1[C@@H]1CCCCN1.
What is the InChIKey of (2S)-2-(5-chloro-2-nitrophenyl)piperidine?
The InChIKey is OMMMEEYKSCHFCO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-8-4-5-11(14(15)16)9(7-8)10-3-1-2-6-13-10/h4-5,7,10,13H,1-3,6H2/t10-/m0/s1.
What are the key properties of (2S)-2-(5-chloro-2-nitrophenyl)piperidine?
(2S)-2-(5-chloro-2-nitrophenyl)piperidine has a molecular weight of 240.69 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-chloro-2-nitrophenyl)piperidine is sourced from PubChem (CID 131335859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).