3-[2-[2-(4-nitrophenyl)ethoxy]ethyl]piperidine

C15H22N2O3 — CID 62357182

IUPAC3-[2-[2-(4-nitrophenyl)ethoxy]ethyl]piperidine
SMILESO=[N+]([O-])c1ccc(CCOCCC2CCCNC2)cc1
InChIInChI=1S/C15H22N2O3/c18-17(19)15-5-3-13(4-6-15)7-10-20-11-8-14-2-1-9-16-12-14/h3-6,14,16H,1-2,7-12H2
InChIKeyNZDIOXVKVXJJMI-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.54
Rot. Bonds7

About 3-[2-[2-(4-nitrophenyl)ethoxy]ethyl]piperidine

3-[2-[2-(4-nitrophenyl)ethoxy]ethyl]piperidine (PubChem CID 62357182) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[2-[2-(4-nitrophenyl)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name3-[2-[2-(4-nitrophenyl)ethoxy]ethyl]piperidine
PubChem CID62357182
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[2-[2-(4-nitrophenyl)ethoxy]ethyl]piperidine
SMILESO=[N+]([O-])c1ccc(CCOCCC2CCCNC2)cc1
InChIInChI=1S/C15H22N2O3/c18-17(19)15-5-3-13(4-6-15)7-10-20-11-8-14-2-1-9-16-12-14/h3-6,14,16H,1-2,7-12H2
InChIKeyNZDIOXVKVXJJMI-UHFFFAOYSA-N
XLogP2.54
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

(3S)-3-[2-(4-nitrophenoxy)ethyl]piperidine
CID 86321527
3-[(4-nitrophenyl)methyl]-azacyclotridecane
CID 57083773
3-[2-[(5-nitrofuran-2-yl)methoxy]ethyl]piperidine
CID 62357016
3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine
CID 62356704
6-nitro-2-[2-[(3S)-piperidin-3-yl]ethoxy]quinoxaline
CID 97177904
3-[2-[(3-nitrophenyl)methoxy]ethyl]pyrrolidine
CID 114795921
3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 62475730
3-[2-(4-fluorophenyl)ethoxymethyl]piperidine
CID 45074936
(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine
CID 86321735
3-[2-(4-nitrophenyl)ethoxy]azetidine
CID 63106099
2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248421
(3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine
CID 86320853

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(4-nitrophenyl)ethoxy]ethyl]piperidine?
The IUPAC name of 3-[2-[2-(4-nitrophenyl)ethoxy]ethyl]piperidine (CID 62357182) is 3-[2-[2-(4-nitrophenyl)ethoxy]ethyl]piperidine.
What is the SMILES notation for 3-[2-[2-(4-nitrophenyl)ethoxy]ethyl]piperidine?
The canonical SMILES for 3-[2-[2-(4-nitrophenyl)ethoxy]ethyl]piperidine is O=[N+]([O-])c1ccc(CCOCCC2CCCNC2)cc1.
What is the InChIKey of 3-[2-[2-(4-nitrophenyl)ethoxy]ethyl]piperidine?
The InChIKey is NZDIOXVKVXJJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-17(19)15-5-3-13(4-6-15)7-10-20-11-8-14-2-1-9-16-12-14/h3-6,14,16H,1-2,7-12H2.
What are the key properties of 3-[2-[2-(4-nitrophenyl)ethoxy]ethyl]piperidine?
3-[2-[2-(4-nitrophenyl)ethoxy]ethyl]piperidine has a molecular weight of 278.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(4-nitrophenyl)ethoxy]ethyl]piperidine is sourced from PubChem (CID 62357182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).