4-[1-(2,4-dinitrophenyl)piperidin-4-yl]morpholine

C15H20N4O5 — CID 126836069

IUPAC4-[1-(2,4-dinitrophenyl)piperidin-4-yl]morpholine
SMILESO=[N+]([O-])c1ccc(N2CCC(N3CCOCC3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H20N4O5/c20-18(21)13-1-2-14(15(11-13)19(22)23)17-5-3-12(4-6-17)16-7-9-24-10-8-16/h1-2,11-12H,3-10H2
InChIKeyZDMDIWSEEOUYKG-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.80
Rot. Bonds4

About 4-[1-(2,4-dinitrophenyl)piperidin-4-yl]morpholine

4-[1-(2,4-dinitrophenyl)piperidin-4-yl]morpholine (PubChem CID 126836069) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-[1-(2,4-dinitrophenyl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2,4-dinitrophenyl)piperidin-4-yl]morpholine
PubChem CID126836069
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Name4-[1-(2,4-dinitrophenyl)piperidin-4-yl]morpholine
SMILESO=[N+]([O-])c1ccc(N2CCC(N3CCOCC3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H20N4O5/c20-18(21)13-1-2-14(15(11-13)19(22)23)17-5-3-12(4-6-17)16-7-9-24-10-8-16/h1-2,11-12H,3-10H2
InChIKeyZDMDIWSEEOUYKG-UHFFFAOYSA-N
XLogP1.80
TPSA101.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-(2,4-dinitrophenyl)azepane
CID 2731658
1-(2,4-dinitrophenyl)azocane
CID 9311675
2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
1-[[1-(2,4-dinitrophenyl)piperidin-4-yl]methyl]azepane
CID 55828375
1-(2,4-dinitrophenyl)-N-methylpyrrolidin-3-amine
CID 115300843
4-[1-(2-methyl-4-nitrophenyl)piperidin-4-yl]thiomorpholine
CID 141372815
2-(4-cyclopropylpiperazin-1-yl)-5-nitrobenzonitrile
CID 47453669
4-[1-(2-fluoro-4-nitrophenyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 133487540
2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-5-nitrobenzonitrile
CID 18084845
N-[(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,4-dinitroaniline
CID 126011066
4-[1-(3-fluoro-5-nitro-2-propan-2-yloxyphenyl)piperidin-4-yl]morpholine
CID 150364793
2-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-5-nitrobenzaldehyde
CID 122652817

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-dinitrophenyl)piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(2,4-dinitrophenyl)piperidin-4-yl]morpholine (CID 126836069) is 4-[1-(2,4-dinitrophenyl)piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(2,4-dinitrophenyl)piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(2,4-dinitrophenyl)piperidin-4-yl]morpholine is O=[N+]([O-])c1ccc(N2CCC(N3CCOCC3)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[1-(2,4-dinitrophenyl)piperidin-4-yl]morpholine?
The InChIKey is ZDMDIWSEEOUYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c20-18(21)13-1-2-14(15(11-13)19(22)23)17-5-3-12(4-6-17)16-7-9-24-10-8-16/h1-2,11-12H,3-10H2.
What are the key properties of 4-[1-(2,4-dinitrophenyl)piperidin-4-yl]morpholine?
4-[1-(2,4-dinitrophenyl)piperidin-4-yl]morpholine has a molecular weight of 336.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-dinitrophenyl)piperidin-4-yl]morpholine is sourced from PubChem (CID 126836069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).