1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-difluoropiperidine

C8H11BrF2N4 — CID 171075675

IUPAC1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-difluoropiperidine
SMILESCn1nc(Br)nc1N1CCC(F)(F)CC1
InChIInChI=1S/C8H11BrF2N4/c1-14-7(12-6(9)13-14)15-4-2-8(10,11)3-5-15/h2-5H2,1H3
InChIKeyKDRIZGZSLQTGQJ-UHFFFAOYSA-N
MW281.10 g/mol
LogP1.81
Rot. Bonds1

About 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-difluoropiperidine

1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-difluoropiperidine (PubChem CID 171075675) has the molecular formula C8H11BrF2N4 and a molecular weight of 281.10 g/mol. Its IUPAC name is 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-difluoropiperidine
PubChem CID171075675
Molecular FormulaC8H11BrF2N4
Molecular Weight281.10 g/mol
Exact Mass280.01
IUPAC Name1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-difluoropiperidine
SMILESCn1nc(Br)nc1N1CCC(F)(F)CC1
InChIInChI=1S/C8H11BrF2N4/c1-14-7(12-6(9)13-14)15-4-2-8(10,11)3-5-15/h2-5H2,1H3
InChIKeyKDRIZGZSLQTGQJ-UHFFFAOYSA-N
XLogP1.81
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-Bromo-2-propan-2-yl-1,2,4-triazol-3-yl)-1-methyl-2-(trifluoromethyl)piperazine
CID 69935496
1-(5-Bromo-2-propan-2-yl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine
CID 69935689
1-Methyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-triazol-3-amine
CID 123249274
1-(5-Bromo-2-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)piperidine
CID 163204494
1-[2-(3,5-Dibromo-1,2,4-triazol-1-YL)ethyl]piperidine
CID 71863463
5-bromo-1-(4,4-difluoropentyl)-1H-1,2,4-triazol-3-amine
CID 165479409
1-(1-Methyl-1,2,4-triazol-3-yl)piperidine
CID 21854915
1-(3-Bromo-1-methyl-1H-1,2,4-triazol-5-yl)piperidine
CID 51000288
(2S)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-2-methylpiperidine
CID 171075532
(2R)-1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-2-methylpiperidine
CID 171075648
1-(5-Bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-dimethylpiperidine
CID 171075940
1-(5-Bromo-2-methyl-1,2,4-triazol-3-yl)-2-methylpiperidine
CID 174232987

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-difluoropiperidine?
The IUPAC name of 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-difluoropiperidine (CID 171075675) is 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-difluoropiperidine.
What is the SMILES notation for 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-difluoropiperidine?
The canonical SMILES for 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-difluoropiperidine is Cn1nc(Br)nc1N1CCC(F)(F)CC1.
What is the InChIKey of 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-difluoropiperidine?
The InChIKey is KDRIZGZSLQTGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrF2N4/c1-14-7(12-6(9)13-14)15-4-2-8(10,11)3-5-15/h2-5H2,1H3.
What are the key properties of 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-difluoropiperidine?
1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-difluoropiperidine has a molecular weight of 281.10 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-difluoropiperidine is sourced from PubChem (CID 171075675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).