1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone

C15H20BrNO2 — CID 82971448

IUPAC1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Br)cc1OCCN1CCCCC1
InChIInChI=1S/C15H20BrNO2/c1-12(18)14-6-5-13(16)11-15(14)19-10-9-17-7-3-2-4-8-17/h5-6,11H,2-4,7-10H2,1H3
InChIKeyGLNBZEKYBDRMFD-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.52
Rot. Bonds5

About 1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone

1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone (PubChem CID 82971448) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone
PubChem CID82971448
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Br)cc1OCCN1CCCCC1
InChIInChI=1S/C15H20BrNO2/c1-12(18)14-6-5-13(16)11-15(14)19-10-9-17-7-3-2-4-8-17/h5-6,11H,2-4,7-10H2,1H3
InChIKeyGLNBZEKYBDRMFD-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone
CID 55244767
1-[2-(4-bromo-2-methylphenoxy)ethyl]piperidine
CID 803338
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
1-(4-bromo-2-pentoxyphenyl)ethanone
CID 82972299
1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone
CID 3021610
1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 82886096
1-[2-hydroxy-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone;hydrochloride
CID 16736967
1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanone
CID 113427004
1-[4-bromo-2-(3,3-dimethylbutoxy)phenyl]ethanone
CID 82971528
4-bromo-N-(4-piperidin-1-ylbutyl)-2-(2-piperidin-1-ylethoxy)aniline
CID 162458015
5-(2-acetyl-5-bromophenoxy)pentanamide
CID 114281647
(1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 78937362

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone?
The IUPAC name of 1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone (CID 82971448) is 1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone is CC(=O)c1ccc(Br)cc1OCCN1CCCCC1.
What is the InChIKey of 1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone?
The InChIKey is GLNBZEKYBDRMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-12(18)14-6-5-13(16)11-15(14)19-10-9-17-7-3-2-4-8-17/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone?
1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone has a molecular weight of 326.23 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone is sourced from PubChem (CID 82971448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).