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

C21H25N5O — CID 4986049

IUPAC1-[2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethyl]piperidine
SMILESCOc1ccc(-c2ccc(-c3nnn(CCN4CCCCC4)n3)cc2)cc1
InChIInChI=1S/C21H25N5O/c1-27-20-11-9-18(10-12-20)17-5-7-19(8-6-17)21-22-24-26(23-21)16-15-25-13-3-2-4-14-25/h5-12H,2-4,13-16H2,1H3
InChIKeySWQYOKRTRVWGQJ-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.50
Rot. Bonds6

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

1-[2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethyl]piperidine (PubChem CID 4986049) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-[2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethyl]piperidine
PubChem CID4986049
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-[2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethyl]piperidine
SMILESCOc1ccc(-c2ccc(-c3nnn(CCN4CCCCC4)n3)cc2)cc1
InChIInChI=1S/C21H25N5O/c1-27-20-11-9-18(10-12-20)17-5-7-19(8-6-17)21-22-24-26(23-21)16-15-25-13-3-2-4-14-25/h5-12H,2-4,13-16H2,1H3
InChIKeySWQYOKRTRVWGQJ-UHFFFAOYSA-N
XLogP3.50
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-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-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethyl]piperidine?
The IUPAC name of 1-[2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethyl]piperidine (CID 4986049) is 1-[2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethyl]piperidine is COc1ccc(-c2ccc(-c3nnn(CCN4CCCCC4)n3)cc2)cc1.
What is the InChIKey of 1-[2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethyl]piperidine?
The InChIKey is SWQYOKRTRVWGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-27-20-11-9-18(10-12-20)17-5-7-19(8-6-17)21-22-24-26(23-21)16-15-25-13-3-2-4-14-25/h5-12H,2-4,13-16H2,1H3.
What are the key properties of 1-[2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethyl]piperidine?
1-[2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethyl]piperidine has a molecular weight of 363.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]ethyl]piperidine is sourced from PubChem (CID 4986049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).