1-[4-(2-nitrophenoxy)butyl]piperidine

C15H22N2O3 — CID 2238088

IUPAC1-[4-(2-nitrophenoxy)butyl]piperidine
SMILESO=[N+]([O-])c1ccccc1OCCCCN1CCCCC1
InChIInChI=1S/C15H22N2O3/c18-17(19)14-8-2-3-9-15(14)20-13-7-6-12-16-10-4-1-5-11-16/h2-3,8-9H,1,4-7,10-13H2
InChIKeyKKZDJIUNVRLCQL-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.24
Rot. Bonds7

About 1-[4-(2-nitrophenoxy)butyl]piperidine

1-[4-(2-nitrophenoxy)butyl]piperidine (PubChem CID 2238088) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[4-(2-nitrophenoxy)butyl]piperidine.

Molecular Properties

Compound Name1-[4-(2-nitrophenoxy)butyl]piperidine
PubChem CID2238088
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[4-(2-nitrophenoxy)butyl]piperidine
SMILESO=[N+]([O-])c1ccccc1OCCCCN1CCCCC1
InChIInChI=1S/C15H22N2O3/c18-17(19)14-8-2-3-9-15(14)20-13-7-6-12-16-10-4-1-5-11-16/h2-3,8-9H,1,4-7,10-13H2
InChIKeyKKZDJIUNVRLCQL-UHFFFAOYSA-N
XLogP3.24
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-nitrophenoxy)butyl]piperidine?
The IUPAC name of 1-[4-(2-nitrophenoxy)butyl]piperidine (CID 2238088) is 1-[4-(2-nitrophenoxy)butyl]piperidine.
What is the SMILES notation for 1-[4-(2-nitrophenoxy)butyl]piperidine?
The canonical SMILES for 1-[4-(2-nitrophenoxy)butyl]piperidine is O=[N+]([O-])c1ccccc1OCCCCN1CCCCC1.
What is the InChIKey of 1-[4-(2-nitrophenoxy)butyl]piperidine?
The InChIKey is KKZDJIUNVRLCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-17(19)14-8-2-3-9-15(14)20-13-7-6-12-16-10-4-1-5-11-16/h2-3,8-9H,1,4-7,10-13H2.
What are the key properties of 1-[4-(2-nitrophenoxy)butyl]piperidine?
1-[4-(2-nitrophenoxy)butyl]piperidine has a molecular weight of 278.35 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-nitrophenoxy)butyl]piperidine is sourced from PubChem (CID 2238088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).