1-(4-amino-3,5-dibromophenyl)-2-(2-methylpiperidin-1-yl)ethanol

C14H20Br2N2O — CID 163636974

IUPAC1-(4-amino-3,5-dibromophenyl)-2-(2-methylpiperidin-1-yl)ethanol
SMILESCC1CCCCN1CC(O)c1cc(Br)c(N)c(Br)c1
InChIInChI=1S/C14H20Br2N2O/c1-9-4-2-3-5-18(9)8-13(19)10-6-11(15)14(17)12(16)7-10/h6-7,9,13,19H,2-5,8,17H2,1H3
InChIKeyIAZPZTXKJMZLCO-UHFFFAOYSA-N
MW392.14 g/mol
LogP3.70
Rot. Bonds3

About 1-(4-amino-3,5-dibromophenyl)-2-(2-methylpiperidin-1-yl)ethanol

1-(4-amino-3,5-dibromophenyl)-2-(2-methylpiperidin-1-yl)ethanol (PubChem CID 163636974) has the molecular formula C14H20Br2N2O and a molecular weight of 392.14 g/mol. Its IUPAC name is 1-(4-amino-3,5-dibromophenyl)-2-(2-methylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-amino-3,5-dibromophenyl)-2-(2-methylpiperidin-1-yl)ethanol
PubChem CID163636974
Molecular FormulaC14H20Br2N2O
Molecular Weight392.14 g/mol
Exact Mass389.99
IUPAC Name1-(4-amino-3,5-dibromophenyl)-2-(2-methylpiperidin-1-yl)ethanol
SMILESCC1CCCCN1CC(O)c1cc(Br)c(N)c(Br)c1
InChIInChI=1S/C14H20Br2N2O/c1-9-4-2-3-5-18(9)8-13(19)10-6-11(15)14(17)12(16)7-10/h6-7,9,13,19H,2-5,8,17H2,1H3
InChIKeyIAZPZTXKJMZLCO-UHFFFAOYSA-N
XLogP3.70
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.14
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dibromophenyl)-2-(2-methylpiperidin-1-yl)ethanol?
The IUPAC name of 1-(4-amino-3,5-dibromophenyl)-2-(2-methylpiperidin-1-yl)ethanol (CID 163636974) is 1-(4-amino-3,5-dibromophenyl)-2-(2-methylpiperidin-1-yl)ethanol.
What is the SMILES notation for 1-(4-amino-3,5-dibromophenyl)-2-(2-methylpiperidin-1-yl)ethanol?
The canonical SMILES for 1-(4-amino-3,5-dibromophenyl)-2-(2-methylpiperidin-1-yl)ethanol is CC1CCCCN1CC(O)c1cc(Br)c(N)c(Br)c1.
What is the InChIKey of 1-(4-amino-3,5-dibromophenyl)-2-(2-methylpiperidin-1-yl)ethanol?
The InChIKey is IAZPZTXKJMZLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O/c1-9-4-2-3-5-18(9)8-13(19)10-6-11(15)14(17)12(16)7-10/h6-7,9,13,19H,2-5,8,17H2,1H3.
What are the key properties of 1-(4-amino-3,5-dibromophenyl)-2-(2-methylpiperidin-1-yl)ethanol?
1-(4-amino-3,5-dibromophenyl)-2-(2-methylpiperidin-1-yl)ethanol has a molecular weight of 392.14 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dibromophenyl)-2-(2-methylpiperidin-1-yl)ethanol is sourced from PubChem (CID 163636974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).