1-[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]ethanol

C12H18BrNO2 — CID 53193289

IUPAC1-[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccc(Br)o2)CC1
InChIInChI=1S/C12H18BrNO2/c1-9(15)10-4-6-14(7-5-10)8-11-2-3-12(13)16-11/h2-3,9-10,15H,4-8H2,1H3
InChIKeyXOSNBLMPZURDQG-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.63
Rot. Bonds3

About 1-[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]ethanol

1-[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]ethanol (PubChem CID 53193289) has the molecular formula C12H18BrNO2 and a molecular weight of 288.18 g/mol. Its IUPAC name is 1-[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]ethanol
PubChem CID53193289
Molecular FormulaC12H18BrNO2
Molecular Weight288.18 g/mol
Exact Mass287.05
IUPAC Name1-[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccc(Br)o2)CC1
InChIInChI=1S/C12H18BrNO2/c1-9(15)10-4-6-14(7-5-10)8-11-2-3-12(13)16-11/h2-3,9-10,15H,4-8H2,1H3
InChIKeyXOSNBLMPZURDQG-UHFFFAOYSA-N
XLogP2.63
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]ethanol (CID 53193289) is 1-[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]ethanol is CC(O)C1CCN(Cc2ccc(Br)o2)CC1.
What is the InChIKey of 1-[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]ethanol?
The InChIKey is XOSNBLMPZURDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-9(15)10-4-6-14(7-5-10)8-11-2-3-12(13)16-11/h2-3,9-10,15H,4-8H2,1H3.
What are the key properties of 1-[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]ethanol?
1-[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]ethanol has a molecular weight of 288.18 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-bromofuran-2-yl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 53193289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).