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

C15H20BrNO2 — CID 106836240

IUPAC1-[5-bromo-2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1cc(Br)ccc1N1CCC(C(C)O)CC1
InChIInChI=1S/C15H20BrNO2/c1-10(18)12-5-7-17(8-6-12)15-4-3-13(16)9-14(15)11(2)19/h3-4,9-10,12,18H,5-8H2,1-2H3
InChIKeyDLGCKVCGXCHWFA-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.25
Rot. Bonds3

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

1-[5-bromo-2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone (PubChem CID 106836240) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-[5-bromo-2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone
PubChem CID106836240
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name1-[5-bromo-2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1cc(Br)ccc1N1CCC(C(C)O)CC1
InChIInChI=1S/C15H20BrNO2/c1-10(18)12-5-7-17(8-6-12)15-4-3-13(16)9-14(15)11(2)19/h3-4,9-10,12,18H,5-8H2,1-2H3
InChIKeyDLGCKVCGXCHWFA-UHFFFAOYSA-N
XLogP3.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-[5-bromo-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanone
CID 82966882
1-[5-bromo-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 114798037
1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone
CID 106836224
1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanone
CID 82966788
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-bromophenyl]ethanone
CID 82967298
(5-bromo-2-hydroxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023690
1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836686
1-[5-bromo-2-(3-propoxypiperidin-1-yl)phenyl]ethanone
CID 82967366
1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol
CID 114889778
5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)benzoic acid
CID 114895877
5-bromo-2-(4-carbamoylpiperidin-1-yl)benzoic acid
CID 114061337
3-fluoro-4-[4-(1-hydroxyethyl)piperidin-1-yl]benzaldehyde
CID 106836349

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[5-bromo-2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone (CID 106836240) is 1-[5-bromo-2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[5-bromo-2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[5-bromo-2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone is CC(=O)c1cc(Br)ccc1N1CCC(C(C)O)CC1.
What is the InChIKey of 1-[5-bromo-2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone?
The InChIKey is DLGCKVCGXCHWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-10(18)12-5-7-17(8-6-12)15-4-3-13(16)9-14(15)11(2)19/h3-4,9-10,12,18H,5-8H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone?
1-[5-bromo-2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone has a molecular weight of 326.23 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone is sourced from PubChem (CID 106836240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).