1-(4-bromo-1-methylimidazol-2-yl)-4,4-difluoropiperidine

C9H12BrF2N3 — CID 169266422

IUPAC1-(4-bromo-1-methylimidazol-2-yl)-4,4-difluoropiperidine
SMILESCn1cc(Br)nc1N1CCC(F)(F)CC1
InChIInChI=1S/C9H12BrF2N3/c1-14-6-7(10)13-8(14)15-4-2-9(11,12)3-5-15/h6H,2-5H2,1H3
InChIKeyCWBGBJHANGIQJR-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.42
Rot. Bonds1

About 1-(4-bromo-1-methylimidazol-2-yl)-4,4-difluoropiperidine

1-(4-bromo-1-methylimidazol-2-yl)-4,4-difluoropiperidine (PubChem CID 169266422) has the molecular formula C9H12BrF2N3 and a molecular weight of 280.12 g/mol. Its IUPAC name is 1-(4-bromo-1-methylimidazol-2-yl)-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-(4-bromo-1-methylimidazol-2-yl)-4,4-difluoropiperidine
PubChem CID169266422
Molecular FormulaC9H12BrF2N3
Molecular Weight280.12 g/mol
Exact Mass279.02
IUPAC Name1-(4-bromo-1-methylimidazol-2-yl)-4,4-difluoropiperidine
SMILESCn1cc(Br)nc1N1CCC(F)(F)CC1
InChIInChI=1S/C9H12BrF2N3/c1-14-6-7(10)13-8(14)15-4-2-9(11,12)3-5-15/h6H,2-5H2,1H3
InChIKeyCWBGBJHANGIQJR-UHFFFAOYSA-N
XLogP2.42
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylimidazol-2-yl)-4,4-difluoropiperidine?
The IUPAC name of 1-(4-bromo-1-methylimidazol-2-yl)-4,4-difluoropiperidine (CID 169266422) is 1-(4-bromo-1-methylimidazol-2-yl)-4,4-difluoropiperidine.
What is the SMILES notation for 1-(4-bromo-1-methylimidazol-2-yl)-4,4-difluoropiperidine?
The canonical SMILES for 1-(4-bromo-1-methylimidazol-2-yl)-4,4-difluoropiperidine is Cn1cc(Br)nc1N1CCC(F)(F)CC1.
What is the InChIKey of 1-(4-bromo-1-methylimidazol-2-yl)-4,4-difluoropiperidine?
The InChIKey is CWBGBJHANGIQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrF2N3/c1-14-6-7(10)13-8(14)15-4-2-9(11,12)3-5-15/h6H,2-5H2,1H3.
What are the key properties of 1-(4-bromo-1-methylimidazol-2-yl)-4,4-difluoropiperidine?
1-(4-bromo-1-methylimidazol-2-yl)-4,4-difluoropiperidine has a molecular weight of 280.12 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylimidazol-2-yl)-4,4-difluoropiperidine is sourced from PubChem (CID 169266422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).