2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol

C14H20BrNO2 — CID 117238916

IUPAC2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
SMILESCN1CCC(C(O)COc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H20BrNO2/c1-16-8-6-11(7-9-16)14(17)10-18-13-4-2-12(15)3-5-13/h2-5,11,14,17H,6-10H2,1H3
InChIKeyGHHYVPYVQBLFQE-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.53
Rot. Bonds4

About 2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol

2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol (PubChem CID 117238916) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
PubChem CID117238916
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
SMILESCN1CCC(C(O)COc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H20BrNO2/c1-16-8-6-11(7-9-16)14(17)10-18-13-4-2-12(15)3-5-13/h2-5,11,14,17H,6-10H2,1H3
InChIKeyGHHYVPYVQBLFQE-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

4-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238923
4-[2-hydroxy-2-(1-methylpyrrolidin-3-yl)ethoxy]phenol
CID 117237471
1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol
CID 111858683
2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238747
2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238738
(4-bromophenyl)-(1-methylpiperidin-4-yl)methanol
CID 58042206
1-cyclopropyl-2-(4-propylphenoxy)ethanol
CID 63908083
2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine
CID 117238902
(2S)-1-(4-bromophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 1308324
2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
CID 117237378
2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol
CID 117237487
1-(1-methylpiperidin-4-yl)-2-phenoxyethanamine
CID 117238723

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol?
The IUPAC name of 2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol (CID 117238916) is 2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol.
What is the SMILES notation for 2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol?
The canonical SMILES for 2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol is CN1CCC(C(O)COc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol?
The InChIKey is GHHYVPYVQBLFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-16-8-6-11(7-9-16)14(17)10-18-13-4-2-12(15)3-5-13/h2-5,11,14,17H,6-10H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol?
2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol has a molecular weight of 314.22 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-(1-methylpiperidin-4-yl)ethanol is sourced from PubChem (CID 117238916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).