1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol

C12H16BrNO2 — CID 43365039

IUPAC1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol
SMILESOCc1ccc(Br)cc1N1CCC(O)CC1
InChIInChI=1S/C12H16BrNO2/c13-10-2-1-9(8-15)12(7-10)14-5-3-11(16)4-6-14/h1-2,7,11,15-16H,3-6,8H2
InChIKeyOXULWFSTGNILSC-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.90
Rot. Bonds2

About 1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol

1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol (PubChem CID 43365039) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol
PubChem CID43365039
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol
SMILESOCc1ccc(Br)cc1N1CCC(O)CC1
InChIInChI=1S/C12H16BrNO2/c13-10-2-1-9(8-15)12(7-10)14-5-3-11(16)4-6-14/h1-2,7,11,15-16H,3-6,8H2
InChIKeyOXULWFSTGNILSC-UHFFFAOYSA-N
XLogP1.90
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol
CID 61242440
1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol
CID 43281090
1-(2-amino-4-bromophenyl)piperidin-4-ol
CID 24695126
1-[4-bromo-2-(methylaminomethyl)phenyl]piperidin-4-ol
CID 114061726
[4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol
CID 55134101
[4-bromo-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanol
CID 81199227
[4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 102960035
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol
CID 43628365
[4-bromo-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol
CID 114411385
1-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]piperidin-4-ol
CID 81238544
1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine
CID 107081123
[1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 43281531

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol (CID 43365039) is 1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol is OCc1ccc(Br)cc1N1CCC(O)CC1.
What is the InChIKey of 1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol?
The InChIKey is OXULWFSTGNILSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c13-10-2-1-9(8-15)12(7-10)14-5-3-11(16)4-6-14/h1-2,7,11,15-16H,3-6,8H2.
What are the key properties of 1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol?
1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol has a molecular weight of 286.17 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 43365039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).