2-[1-[5-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide

C15H21BrN2O2 — CID 82970351

IUPAC2-[1-[5-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
SMILESCC(O)c1ccc(Br)cc1N1CCC(CC(N)=O)CC1
InChIInChI=1S/C15H21BrN2O2/c1-10(19)13-3-2-12(16)9-14(13)18-6-4-11(5-7-18)8-15(17)20/h2-3,9-11,19H,4-8H2,1H3,(H2,17,20)
InChIKeyIBDKCYMSXJIENJ-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.59
Rot. Bonds4

About 2-[1-[5-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide

2-[1-[5-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide (PubChem CID 82970351) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-[1-[5-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[5-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
PubChem CID82970351
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-[1-[5-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
SMILESCC(O)c1ccc(Br)cc1N1CCC(CC(N)=O)CC1
InChIInChI=1S/C15H21BrN2O2/c1-10(19)13-3-2-12(16)9-14(13)18-6-4-11(5-7-18)8-15(17)20/h2-3,9-11,19H,4-8H2,1H3,(H2,17,20)
InChIKeyIBDKCYMSXJIENJ-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-[5-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

Related Compounds

2-[1-[4-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
CID 82970279
2-[1-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide
CID 63372745
1-(4-bromo-2-piperidin-1-ylphenyl)ethanol
CID 82969107
2-[1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide
CID 63372792
1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide
CID 82971943
2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
CID 54989376
2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide
CID 115995958
1-[4-bromo-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanol
CID 82957088
1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 82968790
1-[4-bromo-2-(1-hydroxyethyl)phenyl]-N-methylpiperidine-4-carboxamide
CID 82969745
1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide
CID 82970203
1-[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylethanamine
CID 82968737

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[5-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide (CID 82970351) is 2-[1-[5-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[5-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[5-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide is CC(O)c1ccc(Br)cc1N1CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[1-[5-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide?
The InChIKey is IBDKCYMSXJIENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10(19)13-3-2-12(16)9-14(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-[5-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide?
2-[1-[5-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-[5-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 82970351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).