2-[(4-bromo-1-benzofuran-2-yl)methyl]piperidine

C14H16BrNO — CID 23146342

IUPAC2-[(4-bromo-1-benzofuran-2-yl)methyl]piperidine
SMILESBrc1cccc2oc(CC3CCCCN3)cc12
InChIInChI=1S/C14H16BrNO/c15-13-5-3-6-14-12(13)9-11(17-14)8-10-4-1-2-7-16-10/h3,5-6,9-10,16H,1-2,4,7-8H2
InChIKeyYGXNDHXDGJBNOQ-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.88
Rot. Bonds2

About 2-[(4-bromo-1-benzofuran-2-yl)methyl]piperidine

2-[(4-bromo-1-benzofuran-2-yl)methyl]piperidine (PubChem CID 23146342) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 2-[(4-bromo-1-benzofuran-2-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(4-bromo-1-benzofuran-2-yl)methyl]piperidine
PubChem CID23146342
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name2-[(4-bromo-1-benzofuran-2-yl)methyl]piperidine
SMILESBrc1cccc2oc(CC3CCCCN3)cc12
InChIInChI=1S/C14H16BrNO/c15-13-5-3-6-14-12(13)9-11(17-14)8-10-4-1-2-7-16-10/h3,5-6,9-10,16H,1-2,4,7-8H2
InChIKeyYGXNDHXDGJBNOQ-UHFFFAOYSA-N
XLogP3.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(1-benzofuran-2-ylmethyl)piperidine
CID 94859293
2-[(2-bromo-6-chlorophenyl)methyl]piperidine
CID 117466290
2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine
CID 117474525
5-bromo-N-(piperidin-2-ylmethyl)isoquinolin-1-amine
CID 106540424
2-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 117474630
3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole
CID 117474538
2-[(3-bromo-1-benzofuran-7-yl)methyl]pyrrolidine
CID 117449480
2-methoxy-4-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 117368074
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117497267
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
4-bromo-2-(piperidin-2-ylmethyl)-1,3-benzothiazole
CID 84645389

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1-benzofuran-2-yl)methyl]piperidine?
The IUPAC name of 2-[(4-bromo-1-benzofuran-2-yl)methyl]piperidine (CID 23146342) is 2-[(4-bromo-1-benzofuran-2-yl)methyl]piperidine.
What is the SMILES notation for 2-[(4-bromo-1-benzofuran-2-yl)methyl]piperidine?
The canonical SMILES for 2-[(4-bromo-1-benzofuran-2-yl)methyl]piperidine is Brc1cccc2oc(CC3CCCCN3)cc12.
What is the InChIKey of 2-[(4-bromo-1-benzofuran-2-yl)methyl]piperidine?
The InChIKey is YGXNDHXDGJBNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c15-13-5-3-6-14-12(13)9-11(17-14)8-10-4-1-2-7-16-10/h3,5-6,9-10,16H,1-2,4,7-8H2.
What are the key properties of 2-[(4-bromo-1-benzofuran-2-yl)methyl]piperidine?
2-[(4-bromo-1-benzofuran-2-yl)methyl]piperidine has a molecular weight of 294.19 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1-benzofuran-2-yl)methyl]piperidine is sourced from PubChem (CID 23146342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).