4-(5-bromofuran-2-yl)piperidine

C9H12BrNO — CID 67469128

IUPAC4-(5-bromofuran-2-yl)piperidine
SMILESBrc1ccc(C2CCNCC2)o1
InChIInChI=1S/C9H12BrNO/c10-9-2-1-8(12-9)7-3-5-11-6-4-7/h1-2,7,11H,3-6H2
InChIKeyOVXDUHONIWQZOX-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.51
Rot. Bonds1

About 4-(5-bromofuran-2-yl)piperidine

4-(5-bromofuran-2-yl)piperidine (PubChem CID 67469128) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 4-(5-bromofuran-2-yl)piperidine.

Molecular Properties

Compound Name4-(5-bromofuran-2-yl)piperidine
PubChem CID67469128
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name4-(5-bromofuran-2-yl)piperidine
SMILESBrc1ccc(C2CCNCC2)o1
InChIInChI=1S/C9H12BrNO/c10-9-2-1-8(12-9)7-3-5-11-6-4-7/h1-2,7,11H,3-6H2
InChIKeyOVXDUHONIWQZOX-UHFFFAOYSA-N
XLogP2.51
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromofuran-2-yl)piperidine?
The IUPAC name of 4-(5-bromofuran-2-yl)piperidine (CID 67469128) is 4-(5-bromofuran-2-yl)piperidine.
What is the SMILES notation for 4-(5-bromofuran-2-yl)piperidine?
The canonical SMILES for 4-(5-bromofuran-2-yl)piperidine is Brc1ccc(C2CCNCC2)o1.
What is the InChIKey of 4-(5-bromofuran-2-yl)piperidine?
The InChIKey is OVXDUHONIWQZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c10-9-2-1-8(12-9)7-3-5-11-6-4-7/h1-2,7,11H,3-6H2.
What are the key properties of 4-(5-bromofuran-2-yl)piperidine?
4-(5-bromofuran-2-yl)piperidine has a molecular weight of 230.10 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromofuran-2-yl)piperidine is sourced from PubChem (CID 67469128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).