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

C15H24N2O4 — CID 83005053

IUPAC2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol
SMILESCOc1cc(N)c(N2CCC(OCCO)CC2)cc1OC
InChIInChI=1S/C15H24N2O4/c1-19-14-9-12(16)13(10-15(14)20-2)17-5-3-11(4-6-17)21-8-7-18/h9-11,18H,3-8,16H2,1-2H3
InChIKeyMBVAHHTUZUWEQW-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.26
Rot. Bonds6

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

2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol (PubChem CID 83005053) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol
PubChem CID83005053
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol
SMILESCOc1cc(N)c(N2CCC(OCCO)CC2)cc1OC
InChIInChI=1S/C15H24N2O4/c1-19-14-9-12(16)13(10-15(14)20-2)17-5-3-11(4-6-17)21-8-7-18/h9-11,18H,3-8,16H2,1-2H3
InChIKeyMBVAHHTUZUWEQW-UHFFFAOYSA-N
XLogP1.26
TPSA77.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol (CID 83005053) is 2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol is COc1cc(N)c(N2CCC(OCCO)CC2)cc1OC.
What is the InChIKey of 2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol?
The InChIKey is MBVAHHTUZUWEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-19-14-9-12(16)13(10-15(14)20-2)17-5-3-11(4-6-17)21-8-7-18/h9-11,18H,3-8,16H2,1-2H3.
What are the key properties of 2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol?
2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol has a molecular weight of 296.37 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 83005053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).