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

C14H18BrN5 — CID 3074476

IUPAC1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine
SMILESBrc1ccc(-c2nnn(CCN3CCCCC3)n2)cc1
InChIInChI=1S/C14H18BrN5/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
InChIKeyKEMXQNJCSOQWPU-UHFFFAOYSA-N
MW336.24 g/mol
LogP2.59
Rot. Bonds4

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

1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine (PubChem CID 3074476) has the molecular formula C14H18BrN5 and a molecular weight of 336.24 g/mol. Its IUPAC name is 1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine
PubChem CID3074476
Molecular FormulaC14H18BrN5
Molecular Weight336.24 g/mol
Exact Mass335.07
IUPAC Name1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine
SMILESBrc1ccc(-c2nnn(CCN3CCCCC3)n2)cc1
InChIInChI=1S/C14H18BrN5/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
InChIKeyKEMXQNJCSOQWPU-UHFFFAOYSA-N
XLogP2.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine?
The IUPAC name of 1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine (CID 3074476) is 1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine is Brc1ccc(-c2nnn(CCN3CCCCC3)n2)cc1.
What is the InChIKey of 1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine?
The InChIKey is KEMXQNJCSOQWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5/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.
What are the key properties of 1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine?
1-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]piperidine has a molecular weight of 336.24 g/mol, XLogP of 2.59, 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 is sourced from PubChem (CID 3074476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).