1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine

C11H16BrNO2 — CID 130727806

IUPAC1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine
SMILESCOC1CCCN(Cc2coc(Br)c2)C1
InChIInChI=1S/C11H16BrNO2/c1-14-10-3-2-4-13(7-10)6-9-5-11(12)15-8-9/h5,8,10H,2-4,6-7H2,1H3
InChIKeyHTJLIBOHOLKCRV-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.65
Rot. Bonds3

About 1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine

1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine (PubChem CID 130727806) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine.

Molecular Properties

Compound Name1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine
PubChem CID130727806
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine
SMILESCOC1CCCN(Cc2coc(Br)c2)C1
InChIInChI=1S/C11H16BrNO2/c1-14-10-3-2-4-13(7-10)6-9-5-11(12)15-8-9/h5,8,10H,2-4,6-7H2,1H3
InChIKeyHTJLIBOHOLKCRV-UHFFFAOYSA-N
XLogP2.65
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromofuran-3-yl)methyl]-3-ethylpiperidine
CID 130679519
N-[[5-[(3-methoxypiperidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 102968121
[3-[(3-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 102956590
2-[(5-bromofuran-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 130747026
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
1-[(4-iodophenyl)methyl]-3-methoxypiperidine
CID 103713929
1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol
CID 130825988
4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 102969250
1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine
CID 131020830
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 102958373
3-fluoro-5-[(3-methoxypiperidin-1-yl)methyl]benzonitrile
CID 102957806

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine?
The IUPAC name of 1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine (CID 130727806) is 1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine.
What is the SMILES notation for 1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine?
The canonical SMILES for 1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine is COC1CCCN(Cc2coc(Br)c2)C1.
What is the InChIKey of 1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine?
The InChIKey is HTJLIBOHOLKCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-14-10-3-2-4-13(7-10)6-9-5-11(12)15-8-9/h5,8,10H,2-4,6-7H2,1H3.
What are the key properties of 1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine?
1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine has a molecular weight of 274.16 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine is sourced from PubChem (CID 130727806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).