[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]methanol

C11H16BrNO2 — CID 6456211

IUPAC[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2ccc(Br)o2)C1
InChIInChI=1S/C11H16BrNO2/c12-11-4-3-10(15-11)7-13-5-1-2-9(6-13)8-14/h3-4,9,14H,1-2,5-8H2
InChIKeyUZLQTQLPMQPQKD-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.25
Rot. Bonds3

About [1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]methanol

[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]methanol (PubChem CID 6456211) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is [1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]methanol
PubChem CID6456211
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2ccc(Br)o2)C1
InChIInChI=1S/C11H16BrNO2/c12-11-4-3-10(15-11)7-13-5-1-2-9(6-13)8-14/h3-4,9,14H,1-2,5-8H2
InChIKeyUZLQTQLPMQPQKD-UHFFFAOYSA-N
XLogP2.25
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]methanol (CID 6456211) is [1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]methanol is OCC1CCCN(Cc2ccc(Br)o2)C1.
What is the InChIKey of [1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is UZLQTQLPMQPQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c12-11-4-3-10(15-11)7-13-5-1-2-9(6-13)8-14/h3-4,9,14H,1-2,5-8H2.
What are the key properties of [1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]methanol?
[1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 274.16 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromofuran-2-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 6456211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).