2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine

C11H15BrFN3 — CID 106838724

IUPAC2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine
SMILESCC(Br)C1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H15BrFN3/c1-8(12)9-2-4-16(5-3-9)11-14-6-10(13)7-15-11/h6-9H,2-5H2,1H3
InChIKeyFWBOUFCFOGXNSG-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.62
Rot. Bonds2

About 2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine

2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine (PubChem CID 106838724) has the molecular formula C11H15BrFN3 and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine.

Molecular Properties

Compound Name2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine
PubChem CID106838724
Molecular FormulaC11H15BrFN3
Molecular Weight288.16 g/mol
Exact Mass287.04
IUPAC Name2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine
SMILESCC(Br)C1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H15BrFN3/c1-8(12)9-2-4-16(5-3-9)11-14-6-10(13)7-15-11/h6-9H,2-5H2,1H3
InChIKeyFWBOUFCFOGXNSG-UHFFFAOYSA-N
XLogP2.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine?
The IUPAC name of 2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine (CID 106838724) is 2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine.
What is the SMILES notation for 2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine?
The canonical SMILES for 2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine is CC(Br)C1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine?
The InChIKey is FWBOUFCFOGXNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN3/c1-8(12)9-2-4-16(5-3-9)11-14-6-10(13)7-15-11/h6-9H,2-5H2,1H3.
What are the key properties of 2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine?
2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine has a molecular weight of 288.16 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine is sourced from PubChem (CID 106838724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).