1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol

C13H18BrNO2 — CID 39423005

IUPAC1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol
SMILESOC1CCN(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C13H18BrNO2/c14-11-1-3-13(4-2-11)17-10-9-15-7-5-12(16)6-8-15/h1-4,12,16H,5-10H2
InChIKeyLALMMPCIXQUTAI-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.28
Rot. Bonds4

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

1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol (PubChem CID 39423005) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol
PubChem CID39423005
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol
SMILESOC1CCN(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C13H18BrNO2/c14-11-1-3-13(4-2-11)17-10-9-15-7-5-12(16)6-8-15/h1-4,12,16H,5-10H2
InChIKeyLALMMPCIXQUTAI-UHFFFAOYSA-N
XLogP2.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol
CID 60768272
1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol
CID 60644915
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine
CID 63456489
1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone
CID 63844952
1-[2-(4-bromophenoxy)ethyl]-4-ethoxypiperidine
CID 61224076
1-[2-(4-bromophenoxy)ethyl]-4-[5-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]pentyl]piperazine
CID 56955385
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol
CID 8691218
2-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]acetamide;dihydrochloride
CID 119891186
2-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]acetic acid
CID 43521824
3-[2-(4-bromophenoxy)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79090456
N-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide
CID 29235706

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol (CID 39423005) is 1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol is OC1CCN(CCOc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol?
The InChIKey is LALMMPCIXQUTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c14-11-1-3-13(4-2-11)17-10-9-15-7-5-12(16)6-8-15/h1-4,12,16H,5-10H2.
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol?
1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol has a molecular weight of 300.20 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol is sourced from PubChem (CID 39423005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).