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

C14H20BrNO2 — CID 60768272

IUPAC[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol
SMILESOCC1CCN(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H20BrNO2/c15-13-1-3-14(4-2-13)18-10-9-16-7-5-12(11-17)6-8-16/h1-4,12,17H,5-11H2
InChIKeyUWFIMQJPDLYHQL-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.53
Rot. Bonds5

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

[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol (PubChem CID 60768272) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is [1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol
PubChem CID60768272
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol
SMILESOCC1CCN(CCOc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H20BrNO2/c15-13-1-3-14(4-2-13)18-10-9-16-7-5-12(11-17)6-8-16/h1-4,12,17H,5-11H2
InChIKeyUWFIMQJPDLYHQL-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]methanol
CID 60768510
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine
CID 63456489
1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol
CID 39423005
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
1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol
CID 60644915
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
3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119891190

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol (CID 60768272) is [1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol is OCC1CCN(CCOc2ccc(Br)cc2)CC1.
What is the InChIKey of [1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol?
The InChIKey is UWFIMQJPDLYHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c15-13-1-3-14(4-2-13)18-10-9-16-7-5-12(11-17)6-8-16/h1-4,12,17H,5-11H2.
What are the key properties of [1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol?
[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol has a molecular weight of 314.22 g/mol, XLogP of 2.53, 5 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-yl]methanol is sourced from PubChem (CID 60768272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).