4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine

C12H19BrFN3 — CID 139431442

IUPAC4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine
SMILESCC(C)(F)CN1CCC(n2cc(Br)cn2)CC1
InChIInChI=1S/C12H19BrFN3/c1-12(2,14)9-16-5-3-11(4-6-16)17-8-10(13)7-15-17/h7-8,11H,3-6,9H2,1-2H3
InChIKeyJOPQJJRDXINTFW-UHFFFAOYSA-N
MW304.21 g/mol
LogP3.03
Rot. Bonds3

About 4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine

4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine (PubChem CID 139431442) has the molecular formula C12H19BrFN3 and a molecular weight of 304.21 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine
PubChem CID139431442
Molecular FormulaC12H19BrFN3
Molecular Weight304.21 g/mol
Exact Mass303.07
IUPAC Name4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine
SMILESCC(C)(F)CN1CCC(n2cc(Br)cn2)CC1
InChIInChI=1S/C12H19BrFN3/c1-12(2,14)9-16-5-3-11(4-6-16)17-8-10(13)7-15-17/h7-8,11H,3-6,9H2,1-2H3
InChIKeyJOPQJJRDXINTFW-UHFFFAOYSA-N
XLogP3.03
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine (CID 139431442) is 4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine is CC(C)(F)CN1CCC(n2cc(Br)cn2)CC1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine?
The InChIKey is JOPQJJRDXINTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrFN3/c1-12(2,14)9-16-5-3-11(4-6-16)17-8-10(13)7-15-17/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of 4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine?
4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine has a molecular weight of 304.21 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-1-(2-fluoro-2-methylpropyl)piperidine is sourced from PubChem (CID 139431442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).