(4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone

C11H14BrNO2 — CID 114683288

IUPAC(4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone
SMILESCC1CN(C(=O)c2ccco2)CCC1Br
InChIInChI=1S/C11H14BrNO2/c1-8-7-13(5-4-9(8)12)11(14)10-3-2-6-15-10/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyMYXNRHLLQFAMEE-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.53
Rot. Bonds1

About (4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone

(4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone (PubChem CID 114683288) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is (4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone
PubChem CID114683288
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name(4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone
SMILESCC1CN(C(=O)c2ccco2)CCC1Br
InChIInChI=1S/C11H14BrNO2/c1-8-7-13(5-4-9(8)12)11(14)10-3-2-6-15-10/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyMYXNRHLLQFAMEE-UHFFFAOYSA-N
XLogP2.53
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805486
furan-2-yl-(3-methylpiperazin-1-yl)methanone
CID 64980953
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone
CID 129349488
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
[1-(furan-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 118788568
(4-bromo-3-methylpiperidin-1-yl)-(3-methylphenyl)methanone
CID 114683315

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone?
The IUPAC name of (4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone (CID 114683288) is (4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone?
The canonical SMILES for (4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone is CC1CN(C(=O)c2ccco2)CCC1Br.
What is the InChIKey of (4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone?
The InChIKey is MYXNRHLLQFAMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8-7-13(5-4-9(8)12)11(14)10-3-2-6-15-10/h2-3,6,8-9H,4-5,7H2,1H3.
What are the key properties of (4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone?
(4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone has a molecular weight of 272.14 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylpiperidin-1-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 114683288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).