3-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine

C13H17ClN2O3 — CID 62357045

IUPAC3-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine
SMILESO=[N+]([O-])c1ccc(Cl)cc1OCCC1CCCNC1
InChIInChI=1S/C13H17ClN2O3/c14-11-3-4-12(16(17)18)13(8-11)19-7-5-10-2-1-6-15-9-10/h3-4,8,10,15H,1-2,5-7,9H2
InChIKeyFUHSOEOGKOFQCS-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.02
Rot. Bonds5

About 3-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine

3-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine (PubChem CID 62357045) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 3-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine
PubChem CID62357045
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name3-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine
SMILESO=[N+]([O-])c1ccc(Cl)cc1OCCC1CCCNC1
InChIInChI=1S/C13H17ClN2O3/c14-11-3-4-12(16(17)18)13(8-11)19-7-5-10-2-1-6-15-9-10/h3-4,8,10,15H,1-2,5-7,9H2
InChIKeyFUHSOEOGKOFQCS-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
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

4-nitro-3-(2-piperidin-3-ylethoxy)benzamide
CID 82992578
3-[2-(3-chloro-4-nitrophenoxy)ethyl]piperidine
CID 62356879
(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine
CID 86320969
3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine
CID 114416727
3-[2-(3-chloro-2-nitrophenoxy)ethyl]piperidine
CID 104839552
7-nitro-4-(2-piperidin-3-ylethoxy)-2,1,3-benzoxadiazole
CID 62358034
3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine
CID 62356704
(3S)-3-[2-(4-nitrophenoxy)ethyl]piperidine
CID 86321527
4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 79176653
3-[2-(3-chlorophenoxy)ethyl]piperidine
CID 22309129
(3S)-3-[2-[2-[(2R)-butan-2-yl]-4-chlorophenoxy]ethyl]piperidine
CID 86320429
4-chloro-2-(2-pyrrolidin-3-ylethoxy)benzonitrile
CID 114796365

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine?
The IUPAC name of 3-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine (CID 62357045) is 3-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine.
What is the SMILES notation for 3-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine?
The canonical SMILES for 3-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine is O=[N+]([O-])c1ccc(Cl)cc1OCCC1CCCNC1.
What is the InChIKey of 3-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine?
The InChIKey is FUHSOEOGKOFQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c14-11-3-4-12(16(17)18)13(8-11)19-7-5-10-2-1-6-15-9-10/h3-4,8,10,15H,1-2,5-7,9H2.
What are the key properties of 3-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine?
3-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine has a molecular weight of 284.74 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine is sourced from PubChem (CID 62357045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).