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

C10H14BrNO — CID 117258184

IUPAC4-(5-bromofuran-2-yl)-2-methylpiperidine
SMILESCC1CC(c2ccc(Br)o2)CCN1
InChIInChI=1S/C10H14BrNO/c1-7-6-8(4-5-12-7)9-2-3-10(11)13-9/h2-3,7-8,12H,4-6H2,1H3
InChIKeyQJWXJUMKBGEAJD-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.90
Rot. Bonds1

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

4-(5-bromofuran-2-yl)-2-methylpiperidine (PubChem CID 117258184) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 4-(5-bromofuran-2-yl)-2-methylpiperidine.

Molecular Properties

Compound Name4-(5-bromofuran-2-yl)-2-methylpiperidine
PubChem CID117258184
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name4-(5-bromofuran-2-yl)-2-methylpiperidine
SMILESCC1CC(c2ccc(Br)o2)CCN1
InChIInChI=1S/C10H14BrNO/c1-7-6-8(4-5-12-7)9-2-3-10(11)13-9/h2-3,7-8,12H,4-6H2,1H3
InChIKeyQJWXJUMKBGEAJD-UHFFFAOYSA-N
XLogP2.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.90
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)-2-methylpiperidine?
The IUPAC name of 4-(5-bromofuran-2-yl)-2-methylpiperidine (CID 117258184) is 4-(5-bromofuran-2-yl)-2-methylpiperidine.
What is the SMILES notation for 4-(5-bromofuran-2-yl)-2-methylpiperidine?
The canonical SMILES for 4-(5-bromofuran-2-yl)-2-methylpiperidine is CC1CC(c2ccc(Br)o2)CCN1.
What is the InChIKey of 4-(5-bromofuran-2-yl)-2-methylpiperidine?
The InChIKey is QJWXJUMKBGEAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-7-6-8(4-5-12-7)9-2-3-10(11)13-9/h2-3,7-8,12H,4-6H2,1H3.
What are the key properties of 4-(5-bromofuran-2-yl)-2-methylpiperidine?
4-(5-bromofuran-2-yl)-2-methylpiperidine has a molecular weight of 244.13 g/mol, XLogP of 2.90, 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)-2-methylpiperidine is sourced from PubChem (CID 117258184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).