4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine

C17H25N3O3 — CID 144594517

IUPAC4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine
SMILESCc1cc(N2CCC(N3CCOCC3)CC2)cc(C)c1[N+](=O)[O-]
InChIInChI=1S/C17H25N3O3/c1-13-11-16(12-14(2)17(13)20(21)22)18-5-3-15(4-6-18)19-7-9-23-10-8-19/h11-12,15H,3-10H2,1-2H3
InChIKeyYEQOUAXRVZKNGO-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.51
Rot. Bonds3

About 4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine

4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine (PubChem CID 144594517) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine
PubChem CID144594517
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine
SMILESCc1cc(N2CCC(N3CCOCC3)CC2)cc(C)c1[N+](=O)[O-]
InChIInChI=1S/C17H25N3O3/c1-13-11-16(12-14(2)17(13)20(21)22)18-5-3-15(4-6-18)19-7-9-23-10-8-19/h11-12,15H,3-10H2,1-2H3
InChIKeyYEQOUAXRVZKNGO-UHFFFAOYSA-N
XLogP2.51
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.51
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine (CID 144594517) is 4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine is Cc1cc(N2CCC(N3CCOCC3)CC2)cc(C)c1[N+](=O)[O-].
What is the InChIKey of 4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine?
The InChIKey is YEQOUAXRVZKNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13-11-16(12-14(2)17(13)20(21)22)18-5-3-15(4-6-18)19-7-9-23-10-8-19/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine?
4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine has a molecular weight of 319.41 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,5-dimethyl-4-nitrophenyl)piperidin-4-yl]morpholine is sourced from PubChem (CID 144594517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).