2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride

C13H19ClN2O3 — CID 56830416

IUPAC2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride
SMILESCl.O=[N+]([O-])c1cccc(OCCC2CCCCN2)c1
InChIInChI=1S/C13H18N2O3.ClH/c16-15(17)12-5-3-6-13(10-12)18-9-7-11-4-1-2-8-14-11;/h3,5-6,10-11,14H,1-2,4,7-9H2;1H
InChIKeyHRZHJMRMBAJGJT-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.93
Rot. Bonds5

About 2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride

2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride (PubChem CID 56830416) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride
PubChem CID56830416
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride
SMILESCl.O=[N+]([O-])c1cccc(OCCC2CCCCN2)c1
InChIInChI=1S/C13H18N2O3.ClH/c16-15(17)12-5-3-6-13(10-12)18-9-7-11-4-1-2-8-14-11;/h3,5-6,10-11,14H,1-2,4,7-9H2;1H
InChIKeyHRZHJMRMBAJGJT-UHFFFAOYSA-N
XLogP2.93
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.93
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

(2S)-2-[(3-nitrophenoxy)methyl]pyrrolidine;hydrochloride
CID 67804264
2-[2-(3-nitrophenoxy)ethyl]piperazine
CID 152752054
(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine
CID 59752871
2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine
CID 62342977
2-[2-(2-chloro-5-nitrophenoxy)ethyl]piperidine
CID 63991171
(2S)-2-[2-(3-ethylphenoxy)ethyl]piperidine
CID 28749803
6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride
CID 71635812
5-nitro-2-(2-piperidin-2-ylethoxy)-1,3-benzoxazole;hydrochloride
CID 71635936
2-[2-(3-nitrophenyl)ethyl]pyrrolidine
CID 104703830
2-[2-(3-methylphenoxy)ethyl]pyrrolidine
CID 23339440
methyl 3-[2-[(2R)-piperidin-2-yl]ethoxy]benzoate
CID 86321177
1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride?
The IUPAC name of 2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride (CID 56830416) is 2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride?
The canonical SMILES for 2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride is Cl.O=[N+]([O-])c1cccc(OCCC2CCCCN2)c1.
What is the InChIKey of 2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride?
The InChIKey is HRZHJMRMBAJGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3.ClH/c16-15(17)12-5-3-6-13(10-12)18-9-7-11-4-1-2-8-14-11;/h3,5-6,10-11,14H,1-2,4,7-9H2;1H.
What are the key properties of 2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride?
2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-nitrophenoxy)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 56830416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).