1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine

C15H22BrNO2 — CID 61224076

IUPAC1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine
SMILESCCOC1CCN(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H22BrNO2/c1-2-18-15-7-9-17(10-8-15)11-12-19-14-5-3-13(16)4-6-14/h3-6,15H,2,7-12H2,1H3
InChIKeyIOYVIUAZERCIHS-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.33
Rot. Bonds6

About 1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine

1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine (PubChem CID 61224076) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine
PubChem CID61224076
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine
SMILESCCOC1CCN(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H22BrNO2/c1-2-18-15-7-9-17(10-8-15)11-12-19-14-5-3-13(16)4-6-14/h3-6,15H,2,7-12H2,1H3
InChIKeyIOYVIUAZERCIHS-UHFFFAOYSA-N
XLogP3.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine
CID 63456489
1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol
CID 39423005
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
1-(4-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-one
CID 62612812
1-[2-(4-bromophenoxy)ethyl]-4-[5-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]pentyl]piperazine
CID 56955385
[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol
CID 60768272
1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone
CID 63844952
3-[2-(4-bromophenoxy)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79090456
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2298094
(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933726

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine (CID 61224076) is 1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine is CCOC1CCN(CCOc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine?
The InChIKey is IOYVIUAZERCIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-2-18-15-7-9-17(10-8-15)11-12-19-14-5-3-13(16)4-6-14/h3-6,15H,2,7-12H2,1H3.
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine?
1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine has a molecular weight of 328.25 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine is sourced from PubChem (CID 61224076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).