1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine

C13H21BrN4 — CID 126901314

IUPAC1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine
SMILESBrc1cnn(C2CN(CCN3CCCCC3)C2)c1
InChIInChI=1S/C13H21BrN4/c14-12-8-15-18(9-12)13-10-17(11-13)7-6-16-4-2-1-3-5-16/h8-9,13H,1-7,10-11H2
InChIKeyRGTVBIAQNOXEEK-UHFFFAOYSA-N
MW313.24 g/mol
LogP1.99
Rot. Bonds4

About 1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine

1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine (PubChem CID 126901314) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine
PubChem CID126901314
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine
SMILESBrc1cnn(C2CN(CCN3CCCCC3)C2)c1
InChIInChI=1S/C13H21BrN4/c14-12-8-15-18(9-12)13-10-17(11-13)7-6-16-4-2-1-3-5-16/h8-9,13H,1-7,10-11H2
InChIKeyRGTVBIAQNOXEEK-UHFFFAOYSA-N
XLogP1.99
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine?
The IUPAC name of 1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine (CID 126901314) is 1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine is Brc1cnn(C2CN(CCN3CCCCC3)C2)c1.
What is the InChIKey of 1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine?
The InChIKey is RGTVBIAQNOXEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c14-12-8-15-18(9-12)13-10-17(11-13)7-6-16-4-2-1-3-5-16/h8-9,13H,1-7,10-11H2.
What are the key properties of 1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine?
1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine has a molecular weight of 313.24 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine is sourced from PubChem (CID 126901314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).