4,5-dimethoxy-2-piperidin-1-ylaniline

C13H20N2O2 — CID 616846

IUPAC4,5-dimethoxy-2-piperidin-1-ylaniline
SMILESCOc1cc(N)c(N2CCCCC2)cc1OC
InChIInChI=1S/C13H20N2O2/c1-16-12-8-10(14)11(9-13(12)17-2)15-6-4-3-5-7-15/h8-9H,3-7,14H2,1-2H3
InChIKeyATPIMUVDUMVBCT-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.28
Rot. Bonds3

About 4,5-dimethoxy-2-piperidin-1-ylaniline

4,5-dimethoxy-2-piperidin-1-ylaniline (PubChem CID 616846) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4,5-dimethoxy-2-piperidin-1-ylaniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-piperidin-1-ylaniline
PubChem CID616846
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4,5-dimethoxy-2-piperidin-1-ylaniline
SMILESCOc1cc(N)c(N2CCCCC2)cc1OC
InChIInChI=1S/C13H20N2O2/c1-16-12-8-10(14)11(9-13(12)17-2)15-6-4-3-5-7-15/h8-9H,3-7,14H2,1-2H3
InChIKeyATPIMUVDUMVBCT-UHFFFAOYSA-N
XLogP2.28
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(azepan-1-yl)-5-fluoro-4-methoxyaniline
CID 55215490
4,5-dimethoxy-2-(4-propan-2-ylazepan-1-yl)aniline
CID 83004848
2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 59452610
4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine
CID 83005355
4,5-dimethoxy-2-(2-methylpyrrolidin-1-yl)aniline
CID 83001444
5-fluoro-4-methoxy-2-(1,4-oxazepan-4-yl)aniline
CID 63598726
2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol
CID 83005053
1-(4,5-dimethoxy-2-nitrophenyl)pyrrolidine
CID 616606
3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine
CID 117446608
(2-amino-4-methoxy-5-piperidin-1-ylphenyl)-morpholin-4-ylmethanone
CID 121360080
5-chloro-2-(4-hydroxypiperazin-1-yl)-4-methoxyaniline
CID 143061730
zinc;bis(2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium);tetrachloride
CID 170853886

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-piperidin-1-ylaniline?
The IUPAC name of 4,5-dimethoxy-2-piperidin-1-ylaniline (CID 616846) is 4,5-dimethoxy-2-piperidin-1-ylaniline.
What is the SMILES notation for 4,5-dimethoxy-2-piperidin-1-ylaniline?
The canonical SMILES for 4,5-dimethoxy-2-piperidin-1-ylaniline is COc1cc(N)c(N2CCCCC2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-piperidin-1-ylaniline?
The InChIKey is ATPIMUVDUMVBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-16-12-8-10(14)11(9-13(12)17-2)15-6-4-3-5-7-15/h8-9H,3-7,14H2,1-2H3.
What are the key properties of 4,5-dimethoxy-2-piperidin-1-ylaniline?
4,5-dimethoxy-2-piperidin-1-ylaniline has a molecular weight of 236.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-piperidin-1-ylaniline is sourced from PubChem (CID 616846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).