1-(5-bromoisoquinolin-1-yl)-3-methylpiperidin-3-ol

C15H17BrN2O — CID 103889072

IUPAC1-(5-bromoisoquinolin-1-yl)-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(c2nccc3c(Br)cccc23)C1
InChIInChI=1S/C15H17BrN2O/c1-15(19)7-3-9-18(10-15)14-12-4-2-5-13(16)11(12)6-8-17-14/h2,4-6,8,19H,3,7,9-10H2,1H3
InChIKeyKSLDFRWZKDUHDB-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.35
Rot. Bonds1

About 1-(5-bromoisoquinolin-1-yl)-3-methylpiperidin-3-ol

1-(5-bromoisoquinolin-1-yl)-3-methylpiperidin-3-ol (PubChem CID 103889072) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-(5-bromoisoquinolin-1-yl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(5-bromoisoquinolin-1-yl)-3-methylpiperidin-3-ol
PubChem CID103889072
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name1-(5-bromoisoquinolin-1-yl)-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(c2nccc3c(Br)cccc23)C1
InChIInChI=1S/C15H17BrN2O/c1-15(19)7-3-9-18(10-15)14-12-4-2-5-13(16)11(12)6-8-17-14/h2,4-6,8,19H,3,7,9-10H2,1H3
InChIKeyKSLDFRWZKDUHDB-UHFFFAOYSA-N
XLogP3.35
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromoisoquinolin-1-yl)-3-methylpiperidin-3-ol?
The IUPAC name of 1-(5-bromoisoquinolin-1-yl)-3-methylpiperidin-3-ol (CID 103889072) is 1-(5-bromoisoquinolin-1-yl)-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-(5-bromoisoquinolin-1-yl)-3-methylpiperidin-3-ol?
The canonical SMILES for 1-(5-bromoisoquinolin-1-yl)-3-methylpiperidin-3-ol is CC1(O)CCCN(c2nccc3c(Br)cccc23)C1.
What is the InChIKey of 1-(5-bromoisoquinolin-1-yl)-3-methylpiperidin-3-ol?
The InChIKey is KSLDFRWZKDUHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-15(19)7-3-9-18(10-15)14-12-4-2-5-13(16)11(12)6-8-17-14/h2,4-6,8,19H,3,7,9-10H2,1H3.
What are the key properties of 1-(5-bromoisoquinolin-1-yl)-3-methylpiperidin-3-ol?
1-(5-bromoisoquinolin-1-yl)-3-methylpiperidin-3-ol has a molecular weight of 321.22 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromoisoquinolin-1-yl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 103889072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).