1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride

C14H19BrClN5 — CID 3074477

IUPAC1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride
SMILESBrc1ccc(-c2nnn(CCN3CCCCC3)n2)cc1.Cl
InChIInChI=1S/C14H18BrN5.ClH/c15-13-6-4-12(5-7-13)14-16-18-20(17-14)11-10-19-8-2-1-3-9-19;/h4-7H,1-3,8-11H2;1H
InChIKeyWRGLPZAHJOPICQ-UHFFFAOYSA-N
MW372.70 g/mol
LogP3.01
Rot. Bonds4

About 1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride

1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride (PubChem CID 3074477) has the molecular formula C14H19BrClN5 and a molecular weight of 372.70 g/mol. Its IUPAC name is 1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride
PubChem CID3074477
Molecular FormulaC14H19BrClN5
Molecular Weight372.70 g/mol
Exact Mass371.05
IUPAC Name1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride
SMILESBrc1ccc(-c2nnn(CCN3CCCCC3)n2)cc1.Cl
InChIInChI=1S/C14H18BrN5.ClH/c15-13-6-4-12(5-7-13)14-16-18-20(17-14)11-10-19-8-2-1-3-9-19;/h4-7H,1-3,8-11H2;1H
InChIKeyWRGLPZAHJOPICQ-UHFFFAOYSA-N
XLogP3.01
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.70
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride 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-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride?
The IUPAC name of 1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride (CID 3074477) is 1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride?
The canonical SMILES for 1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride is Brc1ccc(-c2nnn(CCN3CCCCC3)n2)cc1.Cl.
What is the InChIKey of 1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride?
The InChIKey is WRGLPZAHJOPICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5.ClH/c15-13-6-4-12(5-7-13)14-16-18-20(17-14)11-10-19-8-2-1-3-9-19;/h4-7H,1-3,8-11H2;1H.
What are the key properties of 1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride?
1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride has a molecular weight of 372.70 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine;hydrochloride is sourced from PubChem (CID 3074477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).