2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine

C13H17ClN2O3 — CID 63991171

IUPAC2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine
SMILESO=[N+]([O-])c1ccc(Cl)c(OCCC2CCCCN2)c1
InChIInChI=1S/C13H17ClN2O3/c14-12-5-4-11(16(17)18)9-13(12)19-8-6-10-3-1-2-7-15-10/h4-5,9-10,15H,1-3,6-8H2
InChIKeyWBUXWBHHOMAWPC-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.16
Rot. Bonds5

About 2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine

2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine (PubChem CID 63991171) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine
PubChem CID63991171
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine
SMILESO=[N+]([O-])c1ccc(Cl)c(OCCC2CCCCN2)c1
InChIInChI=1S/C13H17ClN2O3/c14-12-5-4-11(16(17)18)9-13(12)19-8-6-10-3-1-2-7-15-10/h4-5,9-10,15H,1-3,6-8H2
InChIKeyWBUXWBHHOMAWPC-UHFFFAOYSA-N
XLogP3.16
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[(2-chloro-5-nitrophenoxy)methyl]pyrrolidine
CID 54140908
(2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine
CID 28749903
2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride
CID 56830416
(2S)-2-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine
CID 86321509
6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride
CID 71635812
2-[(2-bromo-4-nitrophenoxy)methyl]piperidine
CID 62348467
(2S)-2-[(2-bromo-4-nitrophenoxy)methyl]piperidine
CID 177197250
5-nitro-2-(2-piperidin-2-ylethoxy)-1,3-benzoxazole;hydrochloride
CID 71635936
2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine
CID 62342977
(2S)-2-[2-(4-bromo-2-chlorophenoxy)ethyl]piperidine
CID 86320949
2-[2-(2-fluoro-5-methoxy-4-nitrophenoxy)ethyl]piperidine
CID 107260643
(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine
CID 28749787

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine?
The IUPAC name of 2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine (CID 63991171) is 2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine.
What is the SMILES notation for 2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine?
The canonical SMILES for 2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine is O=[N+]([O-])c1ccc(Cl)c(OCCC2CCCCN2)c1.
What is the InChIKey of 2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine?
The InChIKey is WBUXWBHHOMAWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c14-12-5-4-11(16(17)18)9-13(12)19-8-6-10-3-1-2-7-15-10/h4-5,9-10,15H,1-3,6-8H2.
What are the key properties of 2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine?
2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine has a molecular weight of 284.74 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine is sourced from PubChem (CID 63991171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).