1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine

C28H44N6O4 — CID 161181204

IUPAC1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine
SMILESCOc1cc(N2CCC(N(C)C)CC2)ccc1N.COc1cc(N2CCC(N(C)C)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3.C14H23N3O/c1-15(2)11-6-8-16(9-7-11)12-4-5-13(17(18)19)14(10-12)20-3;1-16(2)11-6-8-17(9-7-11)12-4-5-13(15)14(10-12)18-3/h4-5,10-11H,6-9H2,1-3H3;4-5,10-11H,6-9,15H2,1-3H3
InChIKeyUSMAVTHAAVLDBY-UHFFFAOYSA-N
MW528.70 g/mol
LogP3.94
Rot. Bonds7

About 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine

1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine (PubChem CID 161181204) has the molecular formula C28H44N6O4 and a molecular weight of 528.70 g/mol. Its IUPAC name is 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine
PubChem CID161181204
Molecular FormulaC28H44N6O4
Molecular Weight528.70 g/mol
Exact Mass528.34
IUPAC Name1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine
SMILESCOc1cc(N2CCC(N(C)C)CC2)ccc1N.COc1cc(N2CCC(N(C)C)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3.C14H23N3O/c1-15(2)11-6-8-16(9-7-11)12-4-5-13(17(18)19)14(10-12)20-3;1-16(2)11-6-8-17(9-7-11)12-4-5-13(15)14(10-12)18-3/h4-5,10-11H,6-9H2,1-3H3;4-5,10-11H,6-9,15H2,1-3H3
InChIKeyUSMAVTHAAVLDBY-UHFFFAOYSA-N
XLogP3.94
TPSA100.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.70
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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
CID 57416153
1-(3-methoxy-4-nitrophenyl)-N,N-dimethylazetidin-3-amine
CID 178015607
2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine
CID 158570473
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;prop-1-ene
CID 145237121
(3S)-1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 89285568
1-(3-methoxy-4-nitrophenyl)-4-(trifluoromethyl)piperidine
CID 154791771
(3S)-1-(3-methoxy-4-nitrophenyl)pyrrolidin-3-ol
CID 71301761
1-(3-methoxy-4-nitrophenyl)azetidin-3-amine
CID 65249752
(3R,4R)-3-fluoro-1-(3-methoxy-4-nitrophenyl)piperidin-4-amine
CID 140575133
1-(3-methoxy-4-nitrophenyl)-2,5-dihydropyrrole
CID 175593834
1-[[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]methyl]-4-methylpiperazine
CID 66710854
1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine;N,N-dimethyl-1-(4-nitrophenyl)piperidin-4-amine
CID 159183321

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine (CID 161181204) is 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine is COc1cc(N2CCC(N(C)C)CC2)ccc1N.COc1cc(N2CCC(N(C)C)CC2)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is USMAVTHAAVLDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.C14H23N3O/c1-15(2)11-6-8-16(9-7-11)12-4-5-13(17(18)19)14(10-12)20-3;1-16(2)11-6-8-17(9-7-11)12-4-5-13(15)14(10-12)18-3/h4-5,10-11H,6-9H2,1-3H3;4-5,10-11H,6-9,15H2,1-3H3.
What are the key properties of 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine?
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 528.70 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine;1-(3-methoxy-4-nitrophenyl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 161181204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).