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

C15H22BrNO — CID 63456489

IUPAC1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine
SMILESCCC1CCN(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H22BrNO/c1-2-13-7-9-17(10-8-13)11-12-18-15-5-3-14(16)4-6-15/h3-6,13H,2,7-12H2,1H3
InChIKeyUHRLJORIVQJASZ-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.95
Rot. Bonds5

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

1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine (PubChem CID 63456489) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine
PubChem CID63456489
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine
SMILESCCC1CCN(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H22BrNO/c1-2-13-7-9-17(10-8-13)11-12-18-15-5-3-14(16)4-6-15/h3-6,13H,2,7-12H2,1H3
InChIKeyUHRLJORIVQJASZ-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol
CID 60768272
1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine
CID 61224076
1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol
CID 39423005
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
CID 153398685
1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone
CID 63844952
1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine
CID 159435771
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
1-[2-(4-bromophenoxy)ethyl]-4-[5-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]pentyl]piperazine
CID 56955385
3-[2-(4-bromophenoxy)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79090456
[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]methanol
CID 60768510
4-bromo-N-[2-(4-ethylpiperidin-1-yl)ethyl]aniline
CID 63501719

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine (CID 63456489) is 1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine is CCC1CCN(CCOc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine?
The InChIKey is UHRLJORIVQJASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-2-13-7-9-17(10-8-13)11-12-18-15-5-3-14(16)4-6-15/h3-6,13H,2,7-12H2,1H3.
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine?
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine has a molecular weight of 312.25 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine is sourced from PubChem (CID 63456489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).