4-[2-(4-bromopyrazol-1-yl)ethyl]piperidine

C10H16BrN3 — CID 83678893

IUPAC4-[2-(4-bromopyrazol-1-yl)ethyl]piperidine
SMILESBrc1cnn(CCC2CCNCC2)c1
InChIInChI=1S/C10H16BrN3/c11-10-7-13-14(8-10)6-3-9-1-4-12-5-2-9/h7-9,12H,1-6H2
InChIKeyQDJUSWNJWZVQGZ-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.04
Rot. Bonds3

About 4-[2-(4-bromopyrazol-1-yl)ethyl]piperidine

4-[2-(4-bromopyrazol-1-yl)ethyl]piperidine (PubChem CID 83678893) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 4-[2-(4-bromopyrazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-bromopyrazol-1-yl)ethyl]piperidine
PubChem CID83678893
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name4-[2-(4-bromopyrazol-1-yl)ethyl]piperidine
SMILESBrc1cnn(CCC2CCNCC2)c1
InChIInChI=1S/C10H16BrN3/c11-10-7-13-14(8-10)6-3-9-1-4-12-5-2-9/h7-9,12H,1-6H2
InChIKeyQDJUSWNJWZVQGZ-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromopyrazol-1-yl)ethyl]piperidine?
The IUPAC name of 4-[2-(4-bromopyrazol-1-yl)ethyl]piperidine (CID 83678893) is 4-[2-(4-bromopyrazol-1-yl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(4-bromopyrazol-1-yl)ethyl]piperidine?
The canonical SMILES for 4-[2-(4-bromopyrazol-1-yl)ethyl]piperidine is Brc1cnn(CCC2CCNCC2)c1.
What is the InChIKey of 4-[2-(4-bromopyrazol-1-yl)ethyl]piperidine?
The InChIKey is QDJUSWNJWZVQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c11-10-7-13-14(8-10)6-3-9-1-4-12-5-2-9/h7-9,12H,1-6H2.
What are the key properties of 4-[2-(4-bromopyrazol-1-yl)ethyl]piperidine?
4-[2-(4-bromopyrazol-1-yl)ethyl]piperidine has a molecular weight of 258.16 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromopyrazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 83678893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).