[1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol

C15H17BrN2O — CID 67476126

IUPAC[1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol
SMILESOCC1CCCN(c2ccnc3ccc(Br)cc23)C1
InChIInChI=1S/C15H17BrN2O/c16-12-3-4-14-13(8-12)15(5-6-17-14)18-7-1-2-11(9-18)10-19/h3-6,8,11,19H,1-2,7,9-10H2
InChIKeyWNDIGZLSPRESAX-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.21
Rot. Bonds2

About [1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol

[1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol (PubChem CID 67476126) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is [1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol
PubChem CID67476126
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name[1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol
SMILESOCC1CCCN(c2ccnc3ccc(Br)cc23)C1
InChIInChI=1S/C15H17BrN2O/c16-12-3-4-14-13(8-12)15(5-6-17-14)18-7-1-2-11(9-18)10-19/h3-6,8,11,19H,1-2,7,9-10H2
InChIKeyWNDIGZLSPRESAX-UHFFFAOYSA-N
XLogP3.21
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol (CID 67476126) is [1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol is OCC1CCCN(c2ccnc3ccc(Br)cc23)C1.
What is the InChIKey of [1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol?
The InChIKey is WNDIGZLSPRESAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c16-12-3-4-14-13(8-12)15(5-6-17-14)18-7-1-2-11(9-18)10-19/h3-6,8,11,19H,1-2,7,9-10H2.
What are the key properties of [1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol?
[1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol has a molecular weight of 321.22 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 67476126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).