[1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol

C13H18BrNO2 — CID 114061366

IUPAC[1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol
SMILESOCc1cc(Br)ccc1N1CCCC(CO)C1
InChIInChI=1S/C13H18BrNO2/c14-12-3-4-13(11(6-12)9-17)15-5-1-2-10(7-15)8-16/h3-4,6,10,16-17H,1-2,5,7-9H2
InChIKeySSCUJZMVKPOPNE-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.15
Rot. Bonds3

About [1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol

[1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol (PubChem CID 114061366) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is [1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol
PubChem CID114061366
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name[1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol
SMILESOCc1cc(Br)ccc1N1CCCC(CO)C1
InChIInChI=1S/C13H18BrNO2/c14-12-3-4-13(11(6-12)9-17)15-5-1-2-10(7-15)8-16/h3-4,6,10,16-17H,1-2,5,7-9H2
InChIKeySSCUJZMVKPOPNE-UHFFFAOYSA-N
XLogP2.15
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol
CID 114061365
4-bromo-2-[3-(hydroxymethyl)piperidin-1-yl]benzaldehyde
CID 43590395
[1-[2-bromo-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol
CID 114062328
4-bromo-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarbothioamide
CID 114902817
[1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol
CID 64863673
[1-(6-bromoquinolin-4-yl)piperidin-3-yl]methanol
CID 67476126
[1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 114054998
[4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 102960035
[1-(2-amino-4-fluorophenyl)piperidin-3-yl]methanol
CID 43590227
[1-[3-chloro-4-(hydroxymethyl)phenyl]piperidin-3-yl]methanol
CID 114064234
2-[3-(aminomethyl)piperidin-1-yl]-5-bromobenzamide
CID 114893915
5-bromo-2-[3-(hydroxymethyl)azetidin-1-yl]benzonitrile
CID 114895154

Frequently Asked Questions

What is the IUPAC name of [1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol (CID 114061366) is [1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol is OCc1cc(Br)ccc1N1CCCC(CO)C1.
What is the InChIKey of [1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol?
The InChIKey is SSCUJZMVKPOPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c14-12-3-4-13(11(6-12)9-17)15-5-1-2-10(7-15)8-16/h3-4,6,10,16-17H,1-2,5,7-9H2.
What are the key properties of [1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol?
[1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol has a molecular weight of 300.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-bromo-2-(hydroxymethyl)phenyl]piperidin-3-yl]methanol is sourced from PubChem (CID 114061366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).