[4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone

C13H16BrFN2O — CID 106839149

IUPAC[4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
SMILESCC(Br)C1CCN(C(=O)c2ccc(F)cn2)CC1
InChIInChI=1S/C13H16BrFN2O/c1-9(14)10-4-6-17(7-5-10)13(18)12-3-2-11(15)8-16-12/h2-3,8-10H,4-7H2,1H3
InChIKeyBEJVXCBSRCTACP-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.86
Rot. Bonds2

About [4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone

[4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone (PubChem CID 106839149) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is [4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
PubChem CID106839149
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name[4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
SMILESCC(Br)C1CCN(C(=O)c2ccc(F)cn2)CC1
InChIInChI=1S/C13H16BrFN2O/c1-9(14)10-4-6-17(7-5-10)13(18)12-3-2-11(15)8-16-12/h2-3,8-10H,4-7H2,1H3
InChIKeyBEJVXCBSRCTACP-UHFFFAOYSA-N
XLogP2.86
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.86
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-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 113435785
[4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 104643097
(5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 104637888
2-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116681608
(3-bromo-4-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 102961974
[4-(1-bromoethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 106839138
(3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 104643088
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 102983529
[4-(1-bromoethyl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691311
2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine
CID 106838724
[4-(1-bromoethyl)piperidin-1-yl]-(4-iodophenyl)methanone
CID 106839277
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 106839194

Frequently Asked Questions

What is the IUPAC name of [4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The IUPAC name of [4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone (CID 106839149) is [4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for [4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The canonical SMILES for [4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone is CC(Br)C1CCN(C(=O)c2ccc(F)cn2)CC1.
What is the InChIKey of [4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The InChIKey is BEJVXCBSRCTACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c1-9(14)10-4-6-17(7-5-10)13(18)12-3-2-11(15)8-16-12/h2-3,8-10H,4-7H2,1H3.
What are the key properties of [4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
[4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone has a molecular weight of 315.19 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-bromoethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 106839149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).