1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone

C15H20BrNO2 — CID 63844952

IUPAC1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H20BrNO2/c1-12(18)13-6-8-17(9-7-13)10-11-19-15-4-2-14(16)3-5-15/h2-5,13H,6-11H2,1H3
InChIKeyYNWQDBCLOMAFOE-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.13
Rot. Bonds5

About 1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone

1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone (PubChem CID 63844952) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone
PubChem CID63844952
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H20BrNO2/c1-12(18)13-6-8-17(9-7-13)10-11-19-15-4-2-14(16)3-5-15/h2-5,13H,6-11H2,1H3
InChIKeyYNWQDBCLOMAFOE-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol
CID 39423005
[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 95277217
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine
CID 63456489
[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol
CID 60768272
1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine
CID 61224076
1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid
CID 119908222
1-[2-(4-bromophenoxy)ethyl]-4-[5-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]pentyl]piperazine
CID 56955385
2-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]acetic acid
CID 43521824
2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride
CID 119891186
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
1-[4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenyl]ethanone
CID 8591809
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
CID 60645154

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone (CID 63844952) is 1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone is CC(=O)C1CCN(CCOc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone?
The InChIKey is YNWQDBCLOMAFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-12(18)13-6-8-17(9-7-13)10-11-19-15-4-2-14(16)3-5-15/h2-5,13H,6-11H2,1H3.
What are the key properties of 1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone?
1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone has a molecular weight of 326.23 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 63844952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).