2-[2-bromo-5-(piperidin-4-ylmethyl)phenoxy]ethanol

C14H20BrNO2 — CID 58270902

IUPAC2-[2-bromo-5-(piperidin-4-ylmethyl)phenoxy]ethanol
SMILESOCCOc1cc(CC2CCNCC2)ccc1Br
InChIInChI=1S/C14H20BrNO2/c15-13-2-1-12(10-14(13)18-8-7-17)9-11-3-5-16-6-4-11/h1-2,10-11,16-17H,3-9H2
InChIKeyPDFBBWHSRAIGNF-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.36
Rot. Bonds5

About 2-[2-bromo-5-(piperidin-4-ylmethyl)phenoxy]ethanol

2-[2-bromo-5-(piperidin-4-ylmethyl)phenoxy]ethanol (PubChem CID 58270902) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-[2-bromo-5-(piperidin-4-ylmethyl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-bromo-5-(piperidin-4-ylmethyl)phenoxy]ethanol
PubChem CID58270902
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-[2-bromo-5-(piperidin-4-ylmethyl)phenoxy]ethanol
SMILESOCCOc1cc(CC2CCNCC2)ccc1Br
InChIInChI=1S/C14H20BrNO2/c15-13-2-1-12(10-14(13)18-8-7-17)9-11-3-5-16-6-4-11/h1-2,10-11,16-17H,3-9H2
InChIKeyPDFBBWHSRAIGNF-UHFFFAOYSA-N
XLogP2.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-bromo-5-(piperidin-4-ylmethyl)phenoxy]ethanol 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 2-[2-bromo-5-(piperidin-4-ylmethyl)phenoxy]ethanol?
The IUPAC name of 2-[2-bromo-5-(piperidin-4-ylmethyl)phenoxy]ethanol (CID 58270902) is 2-[2-bromo-5-(piperidin-4-ylmethyl)phenoxy]ethanol.
What is the SMILES notation for 2-[2-bromo-5-(piperidin-4-ylmethyl)phenoxy]ethanol?
The canonical SMILES for 2-[2-bromo-5-(piperidin-4-ylmethyl)phenoxy]ethanol is OCCOc1cc(CC2CCNCC2)ccc1Br.
What is the InChIKey of 2-[2-bromo-5-(piperidin-4-ylmethyl)phenoxy]ethanol?
The InChIKey is PDFBBWHSRAIGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c15-13-2-1-12(10-14(13)18-8-7-17)9-11-3-5-16-6-4-11/h1-2,10-11,16-17H,3-9H2.
What are the key properties of 2-[2-bromo-5-(piperidin-4-ylmethyl)phenoxy]ethanol?
2-[2-bromo-5-(piperidin-4-ylmethyl)phenoxy]ethanol has a molecular weight of 314.22 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-5-(piperidin-4-ylmethyl)phenoxy]ethanol is sourced from PubChem (CID 58270902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).