4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline

C17H28N2O2 — CID 43716710

IUPAC4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
SMILESCOc1cc(C)c(NC(C)C2CCN(C)CC2)cc1OC
InChIInChI=1S/C17H28N2O2/c1-12-10-16(20-4)17(21-5)11-15(12)18-13(2)14-6-8-19(3)9-7-14/h10-11,13-14,18H,6-9H2,1-5H3
InChIKeyDXHRGUISFOQVOD-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.15
Rot. Bonds5

About 4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline

4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline (PubChem CID 43716710) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
PubChem CID43716710
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
SMILESCOc1cc(C)c(NC(C)C2CCN(C)CC2)cc1OC
InChIInChI=1S/C17H28N2O2/c1-12-10-16(20-4)17(21-5)11-15(12)18-13(2)14-6-8-19(3)9-7-14/h10-11,13-14,18H,6-9H2,1-5H3
InChIKeyDXHRGUISFOQVOD-UHFFFAOYSA-N
XLogP3.15
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The IUPAC name of 4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline (CID 43716710) is 4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline.
What is the SMILES notation for 4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The canonical SMILES for 4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline is COc1cc(C)c(NC(C)C2CCN(C)CC2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
The InChIKey is DXHRGUISFOQVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12-10-16(20-4)17(21-5)11-15(12)18-13(2)14-6-8-19(3)9-7-14/h10-11,13-14,18H,6-9H2,1-5H3.
What are the key properties of 4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline?
4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline has a molecular weight of 292.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline is sourced from PubChem (CID 43716710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).