4-[5-[(4-ethylphenoxy)methyl]tetrazol-1-yl]piperidine

C15H21N5O — CID 84759288

IUPAC4-[5-[(4-ethylphenoxy)methyl]tetrazol-1-yl]piperidine
SMILESCCc1ccc(OCc2nnnn2C2CCNCC2)cc1
InChIInChI=1S/C15H21N5O/c1-2-12-3-5-14(6-4-12)21-11-15-17-18-19-20(15)13-7-9-16-10-8-13/h3-6,13,16H,2,7-11H2,1H3
InChIKeyKFWPKYFPHHEOQP-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.74
Rot. Bonds5

About 4-[5-[(4-ethylphenoxy)methyl]tetrazol-1-yl]piperidine

4-[5-[(4-ethylphenoxy)methyl]tetrazol-1-yl]piperidine (PubChem CID 84759288) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[5-[(4-ethylphenoxy)methyl]tetrazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[5-[(4-ethylphenoxy)methyl]tetrazol-1-yl]piperidine
PubChem CID84759288
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-[5-[(4-ethylphenoxy)methyl]tetrazol-1-yl]piperidine
SMILESCCc1ccc(OCc2nnnn2C2CCNCC2)cc1
InChIInChI=1S/C15H21N5O/c1-2-12-3-5-14(6-4-12)21-11-15-17-18-19-20(15)13-7-9-16-10-8-13/h3-6,13,16H,2,7-11H2,1H3
InChIKeyKFWPKYFPHHEOQP-UHFFFAOYSA-N
XLogP1.74
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-[(4-ethylphenoxy)methyl]tetrazol-1-yl]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 4-[5-[(4-ethylphenoxy)methyl]tetrazol-1-yl]piperidine?
The IUPAC name of 4-[5-[(4-ethylphenoxy)methyl]tetrazol-1-yl]piperidine (CID 84759288) is 4-[5-[(4-ethylphenoxy)methyl]tetrazol-1-yl]piperidine.
What is the SMILES notation for 4-[5-[(4-ethylphenoxy)methyl]tetrazol-1-yl]piperidine?
The canonical SMILES for 4-[5-[(4-ethylphenoxy)methyl]tetrazol-1-yl]piperidine is CCc1ccc(OCc2nnnn2C2CCNCC2)cc1.
What is the InChIKey of 4-[5-[(4-ethylphenoxy)methyl]tetrazol-1-yl]piperidine?
The InChIKey is KFWPKYFPHHEOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-12-3-5-14(6-4-12)21-11-15-17-18-19-20(15)13-7-9-16-10-8-13/h3-6,13,16H,2,7-11H2,1H3.
What are the key properties of 4-[5-[(4-ethylphenoxy)methyl]tetrazol-1-yl]piperidine?
4-[5-[(4-ethylphenoxy)methyl]tetrazol-1-yl]piperidine has a molecular weight of 287.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-ethylphenoxy)methyl]tetrazol-1-yl]piperidine is sourced from PubChem (CID 84759288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).