2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine

C32H48N6O6 — CID 158570473

IUPAC2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine
SMILESCOc1cc(N2CCC(N3CCOCC3)CC2)ccc1N.COc1cc(N2CCC(N3CCOCC3)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H23N3O4.C16H25N3O2/c1-22-16-12-14(2-3-15(16)19(20)21)17-6-4-13(5-7-17)18-8-10-23-11-9-18;1-20-16-12-14(2-3-15(16)17)18-6-4-13(5-7-18)19-8-10-21-11-9-19/h2-3,12-13H,4-11H2,1H3;2-3,12-13H,4-11,17H2,1H3
InChIKeyHSAARUYVAABJIY-UHFFFAOYSA-N
MW612.77 g/mol
LogP3.48
Rot. Bonds7

About 2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine

2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine (PubChem CID 158570473) has the molecular formula C32H48N6O6 and a molecular weight of 612.77 g/mol. Its IUPAC name is 2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine
PubChem CID158570473
Molecular FormulaC32H48N6O6
Molecular Weight612.77 g/mol
Exact Mass612.36
IUPAC Name2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine
SMILESCOc1cc(N2CCC(N3CCOCC3)CC2)ccc1N.COc1cc(N2CCC(N3CCOCC3)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H23N3O4.C16H25N3O2/c1-22-16-12-14(2-3-15(16)19(20)21)17-6-4-13(5-7-17)18-8-10-23-11-9-18;1-20-16-12-14(2-3-15(16)17)18-6-4-13(5-7-18)19-8-10-21-11-9-19/h2-3,12-13H,4-11H2,1H3;2-3,12-13H,4-11,17H2,1H3
InChIKeyHSAARUYVAABJIY-UHFFFAOYSA-N
XLogP3.48
TPSA119.04 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.77
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine
CID 161181204
4-[(3S,4R)-1-(3-methoxy-4-nitrophenyl)-4-methylpyrrolidin-3-yl]morpholine
CID 125131031
4-[1-(4-ethyl-3-methoxyphenyl)piperidin-4-yl]morpholine
CID 135300472
tert-butyl 4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]piperazine-1-carboxylate
CID 58071495
1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine
CID 166656430
2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;molecular hydrogen
CID 144787336
2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]aniline
CID 57416151
1-(3-methoxy-4-nitrophenyl)-4-(trifluoromethyl)piperidine
CID 154791771
[2-methoxy-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-oxoazanium
CID 142939386
(3S)-1-(3-methoxy-4-nitrophenyl)pyrrolidin-3-ol
CID 71301761
4-(4-cyclohexylpiperazin-1-yl)-2-methoxyaniline
CID 58608385
methanol;2-methoxy-4-[4-(4-methylpiperazin-1-yl)cyclohexyl]aniline;1-[4-(3-methoxy-4-nitrophenyl)cyclohexyl]-4-methylpiperazine
CID 167675929

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine?
The IUPAC name of 2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine (CID 158570473) is 2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine.
What is the SMILES notation for 2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine?
The canonical SMILES for 2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine is COc1cc(N2CCC(N3CCOCC3)CC2)ccc1N.COc1cc(N2CCC(N3CCOCC3)CC2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine?
The InChIKey is HSAARUYVAABJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4.C16H25N3O2/c1-22-16-12-14(2-3-15(16)19(20)21)17-6-4-13(5-7-17)18-8-10-23-11-9-18;1-20-16-12-14(2-3-15(16)17)18-6-4-13(5-7-18)19-8-10-21-11-9-19/h2-3,12-13H,4-11H2,1H3;2-3,12-13H,4-11,17H2,1H3.
What are the key properties of 2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine?
2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine has a molecular weight of 612.77 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine is sourced from PubChem (CID 158570473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).