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

C12H19BrN2O — CID 106885961

IUPAC2-[1-[(3-bromofuran-2-yl)methyl]piperidin-2-yl]ethanamine
SMILESNCCC1CCCCN1Cc1occc1Br
InChIInChI=1S/C12H19BrN2O/c13-11-5-8-16-12(11)9-15-7-2-1-3-10(15)4-6-14/h5,8,10H,1-4,6-7,9,14H2
InChIKeyVQEPAABIXNLMBF-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.75
Rot. Bonds4

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

2-[1-[(3-bromofuran-2-yl)methyl]piperidin-2-yl]ethanamine (PubChem CID 106885961) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-[1-[(3-bromofuran-2-yl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3-bromofuran-2-yl)methyl]piperidin-2-yl]ethanamine
PubChem CID106885961
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name2-[1-[(3-bromofuran-2-yl)methyl]piperidin-2-yl]ethanamine
SMILESNCCC1CCCCN1Cc1occc1Br
InChIInChI=1S/C12H19BrN2O/c13-11-5-8-16-12(11)9-15-7-2-1-3-10(15)4-6-14/h5,8,10H,1-4,6-7,9,14H2
InChIKeyVQEPAABIXNLMBF-UHFFFAOYSA-N
XLogP2.75
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-propylpiperidin-1-yl)methyl]furan-3-yl]methanamine
CID 83062329
2-[1-[(2-bromo-5-chlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 66155674
2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 83230799
1-[(3-bromofuran-2-yl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 106885940
1-[(3-bromofuran-2-yl)methyl]piperidine
CID 130667893
2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine
CID 63758972
2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine
CID 63759147
2-[1-(2-fluoroethyl)piperidin-2-yl]ethanamine
CID 80695108
N-[[3-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 83061390
N-[[2-[(2-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62419893
[(2S)-1-[(3-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 103885811
3-(1-benzylazepan-2-yl)propan-1-amine
CID 83488248

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-bromofuran-2-yl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 2-[1-[(3-bromofuran-2-yl)methyl]piperidin-2-yl]ethanamine (CID 106885961) is 2-[1-[(3-bromofuran-2-yl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[(3-bromofuran-2-yl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 2-[1-[(3-bromofuran-2-yl)methyl]piperidin-2-yl]ethanamine is NCCC1CCCCN1Cc1occc1Br.
What is the InChIKey of 2-[1-[(3-bromofuran-2-yl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is VQEPAABIXNLMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c13-11-5-8-16-12(11)9-15-7-2-1-3-10(15)4-6-14/h5,8,10H,1-4,6-7,9,14H2.
What are the key properties of 2-[1-[(3-bromofuran-2-yl)methyl]piperidin-2-yl]ethanamine?
2-[1-[(3-bromofuran-2-yl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 287.20 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-bromofuran-2-yl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 106885961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).