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

C11H12Cl2N2O2 — CID 10731076

IUPAC4-chloro-2-(5-chloro-2-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1ccc(Cl)cc1C1CC(Cl)CCN1
InChIInChI=1S/C11H12Cl2N2O2/c12-7-1-2-11(15(16)17)9(5-7)10-6-8(13)3-4-14-10/h1-2,5,8,10,14H,3-4,6H2
InChIKeyHYPWPSBOSSYRGY-UHFFFAOYSA-N
MW275.13 g/mol
LogP3.28
Rot. Bonds2

About 4-chloro-2-(5-chloro-2-nitrophenyl)piperidine

4-chloro-2-(5-chloro-2-nitrophenyl)piperidine (PubChem CID 10731076) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-2-nitrophenyl)piperidine.

Molecular Properties

Compound Name4-chloro-2-(5-chloro-2-nitrophenyl)piperidine
PubChem CID10731076
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name4-chloro-2-(5-chloro-2-nitrophenyl)piperidine
SMILESO=[N+]([O-])c1ccc(Cl)cc1C1CC(Cl)CCN1
InChIInChI=1S/C11H12Cl2N2O2/c12-7-1-2-11(15(16)17)9(5-7)10-6-8(13)3-4-14-10/h1-2,5,8,10,14H,3-4,6H2
InChIKeyHYPWPSBOSSYRGY-UHFFFAOYSA-N
XLogP3.28
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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)piperidine
CID 131335859
(2S)-2-(5-chloro-2-nitrophenyl)aziridine
CID 55263842
(2S)-2-(5-chloro-2-nitrophenyl)piperazine;hydrochloride
CID 171193773
(3S)-3-(5-chloro-2-nitrophenyl)morpholine
CID 131335857
4-chloro-2-cyclohexyl-1-nitrobenzene
CID 12007670
(2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride
CID 171195941
4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one
CID 118276984
4-chloro-1-cyclopropyl-2-nitrobenzene
CID 130133348
5-chloro-N-(2-methylpiperidin-4-yl)-2-nitrobenzenesulfonamide
CID 120585645
(2S)-2-(4-fluoro-3-nitrophenyl)azetidine
CID 55278282
(2S)-2-(5-fluoro-2-nitrophenyl)piperazine
CID 171193759
3-(5-chloro-2-nitrophenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
CID 71870854

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-2-nitrophenyl)piperidine?
The IUPAC name of 4-chloro-2-(5-chloro-2-nitrophenyl)piperidine (CID 10731076) is 4-chloro-2-(5-chloro-2-nitrophenyl)piperidine.
What is the SMILES notation for 4-chloro-2-(5-chloro-2-nitrophenyl)piperidine?
The canonical SMILES for 4-chloro-2-(5-chloro-2-nitrophenyl)piperidine is O=[N+]([O-])c1ccc(Cl)cc1C1CC(Cl)CCN1.
What is the InChIKey of 4-chloro-2-(5-chloro-2-nitrophenyl)piperidine?
The InChIKey is HYPWPSBOSSYRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c12-7-1-2-11(15(16)17)9(5-7)10-6-8(13)3-4-14-10/h1-2,5,8,10,14H,3-4,6H2.
What are the key properties of 4-chloro-2-(5-chloro-2-nitrophenyl)piperidine?
4-chloro-2-(5-chloro-2-nitrophenyl)piperidine has a molecular weight of 275.13 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-chloro-2-nitrophenyl)piperidine is sourced from PubChem (CID 10731076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).