1-[3-(2-nitrophenoxy)propyl]piperidine

C14H20N2O3 — CID 2057912

IUPAC1-[3-(2-nitrophenoxy)propyl]piperidine
SMILESO=[N+]([O-])c1ccccc1OCCCN1CCCCC1
InChIInChI=1S/C14H20N2O3/c17-16(18)13-7-2-3-8-14(13)19-12-6-11-15-9-4-1-5-10-15/h2-3,7-8H,1,4-6,9-12H2
InChIKeyAUSHFMVWTXKYJB-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.85
Rot. Bonds6

About 1-[3-(2-nitrophenoxy)propyl]piperidine

1-[3-(2-nitrophenoxy)propyl]piperidine (PubChem CID 2057912) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[3-(2-nitrophenoxy)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(2-nitrophenoxy)propyl]piperidine
PubChem CID2057912
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[3-(2-nitrophenoxy)propyl]piperidine
SMILESO=[N+]([O-])c1ccccc1OCCCN1CCCCC1
InChIInChI=1S/C14H20N2O3/c17-16(18)13-7-2-3-8-14(13)19-12-6-11-15-9-4-1-5-10-15/h2-3,7-8H,1,4-6,9-12H2
InChIKeyAUSHFMVWTXKYJB-UHFFFAOYSA-N
XLogP2.85
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.85
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-[3-(2-nitrophenoxy)propyl]piperidine?
The IUPAC name of 1-[3-(2-nitrophenoxy)propyl]piperidine (CID 2057912) is 1-[3-(2-nitrophenoxy)propyl]piperidine.
What is the SMILES notation for 1-[3-(2-nitrophenoxy)propyl]piperidine?
The canonical SMILES for 1-[3-(2-nitrophenoxy)propyl]piperidine is O=[N+]([O-])c1ccccc1OCCCN1CCCCC1.
What is the InChIKey of 1-[3-(2-nitrophenoxy)propyl]piperidine?
The InChIKey is AUSHFMVWTXKYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-16(18)13-7-2-3-8-14(13)19-12-6-11-15-9-4-1-5-10-15/h2-3,7-8H,1,4-6,9-12H2.
What are the key properties of 1-[3-(2-nitrophenoxy)propyl]piperidine?
1-[3-(2-nitrophenoxy)propyl]piperidine has a molecular weight of 264.32 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-nitrophenoxy)propyl]piperidine is sourced from PubChem (CID 2057912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).