1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol

C13H18BrNO2 — CID 60644915

IUPAC1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol
SMILESOC1CCCN(CCOc2ccc(Br)cc2)C1
InChIInChI=1S/C13H18BrNO2/c14-11-3-5-13(6-4-11)17-9-8-15-7-1-2-12(16)10-15/h3-6,12,16H,1-2,7-10H2
InChIKeyOLSCJCVAWFFZOL-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.28
Rot. Bonds4

About 1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol

1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol (PubChem CID 60644915) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol
PubChem CID60644915
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol
SMILESOC1CCCN(CCOc2ccc(Br)cc2)C1
InChIInChI=1S/C13H18BrNO2/c14-11-3-5-13(6-4-11)17-9-8-15-7-1-2-12(16)10-15/h3-6,12,16H,1-2,7-10H2
InChIKeyOLSCJCVAWFFZOL-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

(3S)-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 107225998
1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol
CID 39423005
1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol
CID 43575244
1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidin-3-ol
CID 69215022
1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943937
3-[2-(3-hydroxypiperidin-1-yl)ethoxy]benzoic acid
CID 61434873
[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]methanol
CID 60768272
3-[2-(4-bromophenoxy)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79090456
1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62941147
(3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol
CID 94156277
(3S)-1-[2-(4-bromophenoxy)ethyl]-3-methylpiperazine
CID 104977117
4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 78962070

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol (CID 60644915) is 1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol is OC1CCCN(CCOc2ccc(Br)cc2)C1.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol?
The InChIKey is OLSCJCVAWFFZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c14-11-3-5-13(6-4-11)17-9-8-15-7-1-2-12(16)10-15/h3-6,12,16H,1-2,7-10H2.
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol?
1-[2-(4-bromophenoxy)ethyl]piperidin-3-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-3-ol is sourced from PubChem (CID 60644915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).