1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]piperidine

C20H29N5 — CID 43902752

IUPAC1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]piperidine
SMILESCc1cccc(C)c1-n1nnnc1C1(N2CCCCC2)CCCCC1
InChIInChI=1S/C20H29N5/c1-16-10-9-11-17(2)18(16)25-19(21-22-23-25)20(12-5-3-6-13-20)24-14-7-4-8-15-24/h9-11H,3-8,12-15H2,1-2H3
InChIKeyZQMVEAXLVSPZPO-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.92
Rot. Bonds3

About 1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]piperidine

1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]piperidine (PubChem CID 43902752) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]piperidine.

Molecular Properties

Compound Name1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]piperidine
PubChem CID43902752
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]piperidine
SMILESCc1cccc(C)c1-n1nnnc1C1(N2CCCCC2)CCCCC1
InChIInChI=1S/C20H29N5/c1-16-10-9-11-17(2)18(16)25-19(21-22-23-25)20(12-5-3-6-13-20)24-14-7-4-8-15-24/h9-11H,3-8,12-15H2,1-2H3
InChIKeyZQMVEAXLVSPZPO-UHFFFAOYSA-N
XLogP3.92
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]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-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]piperidine?
The IUPAC name of 1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]piperidine (CID 43902752) is 1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]piperidine.
What is the SMILES notation for 1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]piperidine?
The canonical SMILES for 1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]piperidine is Cc1cccc(C)c1-n1nnnc1C1(N2CCCCC2)CCCCC1.
What is the InChIKey of 1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]piperidine?
The InChIKey is ZQMVEAXLVSPZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-16-10-9-11-17(2)18(16)25-19(21-22-23-25)20(12-5-3-6-13-20)24-14-7-4-8-15-24/h9-11H,3-8,12-15H2,1-2H3.
What are the key properties of 1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]piperidine?
1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]piperidine has a molecular weight of 339.49 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]piperidine is sourced from PubChem (CID 43902752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).