4-(2-nitro-5-piperidin-1-ylphenyl)morpholine

C15H21N3O3 — CID 2888807

IUPAC4-(2-nitro-5-piperidin-1-ylphenyl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCCCC2)cc1N1CCOCC1
InChIInChI=1S/C15H21N3O3/c19-18(20)14-5-4-13(16-6-2-1-3-7-16)12-15(14)17-8-10-21-11-9-17/h4-5,12H,1-3,6-11H2
InChIKeyGYNFYPPYBHQMAK-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.42
Rot. Bonds3

About 4-(2-nitro-5-piperidin-1-ylphenyl)morpholine

4-(2-nitro-5-piperidin-1-ylphenyl)morpholine (PubChem CID 2888807) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(2-nitro-5-piperidin-1-ylphenyl)morpholine.

Molecular Properties

Compound Name4-(2-nitro-5-piperidin-1-ylphenyl)morpholine
PubChem CID2888807
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-(2-nitro-5-piperidin-1-ylphenyl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCCCC2)cc1N1CCOCC1
InChIInChI=1S/C15H21N3O3/c19-18(20)14-5-4-13(16-6-2-1-3-7-16)12-15(14)17-8-10-21-11-9-17/h4-5,12H,1-3,6-11H2
InChIKeyGYNFYPPYBHQMAK-UHFFFAOYSA-N
XLogP2.42
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2-nitro-5-piperidin-1-ylphenyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

HC Blue 2
CID 36383
4-(4-Nitrophenyl)morpholine
CID 25222
5-(4-Methylpiperazin-1-yl)-2-nitroaniline
CID 2760034
1-(2,4-Dinitrophenyl)piperidine
CID 225454
2,4-Di-morpholin-4-yl-phenylamine
CID 796226
1,4-Dimethyl-6-(4-morpholinyl)-7-nitro-1,4-dihydro-2,3-quinoxalinedione
CID 2992790
(2,4-Dinitrophenyl)[2-(4-morpholinyl)ethyl]amine
CID 2853539
1-(4-Nitro-3-piperidin-1-ylphenyl)piperazine
CID 2867076
1-Chloro-2,4-dimorpholino-5-nitrobenzene
CID 2797445
4-(4-Nitro-3-piperidin-1-ylphenyl)morpholine
CID 4373472
4-(2-Nitrophenyl)morpholine
CID 96365
4-(3-Nitrophenyl)morpholine
CID 1253273

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitro-5-piperidin-1-ylphenyl)morpholine?
The IUPAC name of 4-(2-nitro-5-piperidin-1-ylphenyl)morpholine (CID 2888807) is 4-(2-nitro-5-piperidin-1-ylphenyl)morpholine.
What is the SMILES notation for 4-(2-nitro-5-piperidin-1-ylphenyl)morpholine?
The canonical SMILES for 4-(2-nitro-5-piperidin-1-ylphenyl)morpholine is O=[N+]([O-])c1ccc(N2CCCCC2)cc1N1CCOCC1.
What is the InChIKey of 4-(2-nitro-5-piperidin-1-ylphenyl)morpholine?
The InChIKey is GYNFYPPYBHQMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-18(20)14-5-4-13(16-6-2-1-3-7-16)12-15(14)17-8-10-21-11-9-17/h4-5,12H,1-3,6-11H2.
What are the key properties of 4-(2-nitro-5-piperidin-1-ylphenyl)morpholine?
4-(2-nitro-5-piperidin-1-ylphenyl)morpholine has a molecular weight of 291.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitro-5-piperidin-1-ylphenyl)morpholine is sourced from PubChem (CID 2888807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).