1-[3-(4-nitrophenoxy)propyl]piperazine

C13H19N3O3 — CID 2944313

IUPAC1-[3-(4-nitrophenoxy)propyl]piperazine
SMILESO=[N+]([O-])c1ccc(OCCCN2CCNCC2)cc1
InChIInChI=1S/C13H19N3O3/c17-16(18)12-2-4-13(5-3-12)19-11-1-8-15-9-6-14-7-10-15/h2-5,14H,1,6-11H2
InChIKeyAHZBYRKJWYHWEO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.27
Rot. Bonds6

About 1-[3-(4-nitrophenoxy)propyl]piperazine

1-[3-(4-nitrophenoxy)propyl]piperazine (PubChem CID 2944313) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[3-(4-nitrophenoxy)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(4-nitrophenoxy)propyl]piperazine
PubChem CID2944313
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[3-(4-nitrophenoxy)propyl]piperazine
SMILESO=[N+]([O-])c1ccc(OCCCN2CCNCC2)cc1
InChIInChI=1S/C13H19N3O3/c17-16(18)12-2-4-13(5-3-12)19-11-1-8-15-9-6-14-7-10-15/h2-5,14H,1,6-11H2
InChIKeyAHZBYRKJWYHWEO-UHFFFAOYSA-N
XLogP1.27
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-[3-(4-nitrophenoxy)propyl]pyrrolidine
CID 2232563
1-[3-(4-nitrophenoxy)propyl]piperidin-4-one
CID 46203824
1-[3-(3-methyl-4-nitrophenoxy)propyl]piperazine
CID 2195581
2-methoxy-2-methylpropane;1-[3-(4-nitrophenoxy)propyl]pyrrolidine
CID 69091522
1-fluoro-4-nitrobenzene;1-[3-(4-nitrophenoxy)propyl]pyrrolidine;3-pyrrolidin-1-ylpropan-1-ol
CID 159007183
1-ethyl-4-[3-(4-nitrophenoxy)propyl]piperazine;oxalic acid
CID 2961425
1-(3-phenoxypropyl)piperazine
CID 2760351
1-(4-nitrophenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide
CID 119994415
(2R)-2-methyl-1-[2-(4-nitrophenoxy)ethyl]piperazine
CID 95656887
1-[2-(4-nitrophenoxy)ethyl]pyrrolidine;2-pyrrolidin-1-ylethanol
CID 158202191
4-nitro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994818
7-nitro-3-[2-(4-nitrophenoxy)ethyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 19872056

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-nitrophenoxy)propyl]piperazine?
The IUPAC name of 1-[3-(4-nitrophenoxy)propyl]piperazine (CID 2944313) is 1-[3-(4-nitrophenoxy)propyl]piperazine.
What is the SMILES notation for 1-[3-(4-nitrophenoxy)propyl]piperazine?
The canonical SMILES for 1-[3-(4-nitrophenoxy)propyl]piperazine is O=[N+]([O-])c1ccc(OCCCN2CCNCC2)cc1.
What is the InChIKey of 1-[3-(4-nitrophenoxy)propyl]piperazine?
The InChIKey is AHZBYRKJWYHWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-16(18)12-2-4-13(5-3-12)19-11-1-8-15-9-6-14-7-10-15/h2-5,14H,1,6-11H2.
What are the key properties of 1-[3-(4-nitrophenoxy)propyl]piperazine?
1-[3-(4-nitrophenoxy)propyl]piperazine has a molecular weight of 265.31 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-nitrophenoxy)propyl]piperazine is sourced from PubChem (CID 2944313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).