2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide

C15H21BrN2O2 — CID 82970279

IUPAC2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
SMILESCC(O)c1cc(Br)ccc1N1CCC(CC(N)=O)CC1
InChIInChI=1S/C15H21BrN2O2/c1-10(19)13-9-12(16)2-3-14(13)18-6-4-11(5-7-18)8-15(17)20/h2-3,9-11,19H,4-8H2,1H3,(H2,17,20)
InChIKeyMECNTGGSDAIUDB-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.59
Rot. Bonds4

About 2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide

2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide (PubChem CID 82970279) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
PubChem CID82970279
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
SMILESCC(O)c1cc(Br)ccc1N1CCC(CC(N)=O)CC1
InChIInChI=1S/C15H21BrN2O2/c1-10(19)13-9-12(16)2-3-14(13)18-6-4-11(5-7-18)8-15(17)20/h2-3,9-11,19H,4-8H2,1H3,(H2,17,20)
InChIKeyMECNTGGSDAIUDB-UHFFFAOYSA-N
XLogP2.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide 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-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide (CID 82970279) is 2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide is CC(O)c1cc(Br)ccc1N1CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide?
The InChIKey is MECNTGGSDAIUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10(19)13-9-12(16)2-3-14(13)18-6-4-11(5-7-18)8-15(17)20/h2-3,9-11,19H,4-8H2,1H3,(H2,17,20).
What are the key properties of 2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide?
2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide has a molecular weight of 341.25 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 82970279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).