2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-2-yl]ethanol

C15H24N2O3 — CID 83001586

IUPAC2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-2-yl]ethanol
SMILESCOc1cc(N)c(N2CCCCC2CCO)cc1OC
InChIInChI=1S/C15H24N2O3/c1-19-14-9-12(16)13(10-15(14)20-2)17-7-4-3-5-11(17)6-8-18/h9-11,18H,3-8,16H2,1-2H3
InChIKeyIUSGNXHDCSXYLE-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.03
Rot. Bonds5

About 2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-2-yl]ethanol

2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-2-yl]ethanol (PubChem CID 83001586) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-2-yl]ethanol
PubChem CID83001586
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-2-yl]ethanol
SMILESCOc1cc(N)c(N2CCCCC2CCO)cc1OC
InChIInChI=1S/C15H24N2O3/c1-19-14-9-12(16)13(10-15(14)20-2)17-7-4-3-5-11(17)6-8-18/h9-11,18H,3-8,16H2,1-2H3
InChIKeyIUSGNXHDCSXYLE-UHFFFAOYSA-N
XLogP2.03
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[1-(2-amino-5-ethoxy-4-fluorophenyl)piperidin-2-yl]ethanol
CID 63593025
3-[1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-2-yl]propan-1-ol
CID 107259161
4,5-dimethoxy-2-(2-methylpyrrolidin-1-yl)aniline
CID 83001444
2-[1-(3-amino-5-methoxyphenyl)piperidin-2-yl]ethanol
CID 80725887
2-[1-(5-amino-1H-indazol-6-yl)piperidin-2-yl]ethanol
CID 107488175
4-(2-ethylpiperidin-1-yl)-5-fluoro-2-methoxyaniline
CID 107258766
2-[1-(4-amino-3-methylphenyl)piperidin-2-yl]ethanol
CID 43436167
2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
CID 81303118
4,5-dimethoxy-2-piperidin-1-ylaniline
CID 616846
[1-(2-amino-4-fluoro-5-propoxyphenyl)azepan-2-yl]methanol
CID 116634014
2-[1-(2-methoxyphenyl)piperidin-2-yl]ethanamine
CID 82389615
2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol
CID 83005053

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-2-yl]ethanol (CID 83001586) is 2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-2-yl]ethanol is COc1cc(N)c(N2CCCCC2CCO)cc1OC.
What is the InChIKey of 2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-2-yl]ethanol?
The InChIKey is IUSGNXHDCSXYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-19-14-9-12(16)13(10-15(14)20-2)17-7-4-3-5-11(17)6-8-18/h9-11,18H,3-8,16H2,1-2H3.
What are the key properties of 2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-2-yl]ethanol?
2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-2-yl]ethanol has a molecular weight of 280.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 83001586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).