2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine

C20H25NO — CID 91008575

IUPAC2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine
SMILESCc1ccc(OC(C)C2CCCCN2)cc1-c1ccccc1
InChIInChI=1S/C20H25NO/c1-15-11-12-18(14-19(15)17-8-4-3-5-9-17)22-16(2)20-10-6-7-13-21-20/h3-5,8-9,11-12,14,16,20-21H,6-7,10,13H2,1-2H3
InChIKeyBQCQXTZNWBEZSY-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.57
Rot. Bonds4

About 2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine

2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine (PubChem CID 91008575) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine
PubChem CID91008575
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine
SMILESCc1ccc(OC(C)C2CCCCN2)cc1-c1ccccc1
InChIInChI=1S/C20H25NO/c1-15-11-12-18(14-19(15)17-8-4-3-5-9-17)22-16(2)20-10-6-7-13-21-20/h3-5,8-9,11-12,14,16,20-21H,6-7,10,13H2,1-2H3
InChIKeyBQCQXTZNWBEZSY-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(4-methyl-3-phenylphenoxy)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 2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine?
The IUPAC name of 2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine (CID 91008575) is 2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine.
What is the SMILES notation for 2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine?
The canonical SMILES for 2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine is Cc1ccc(OC(C)C2CCCCN2)cc1-c1ccccc1.
What is the InChIKey of 2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine?
The InChIKey is BQCQXTZNWBEZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-15-11-12-18(14-19(15)17-8-4-3-5-9-17)22-16(2)20-10-6-7-13-21-20/h3-5,8-9,11-12,14,16,20-21H,6-7,10,13H2,1-2H3.
What are the key properties of 2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine?
2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine has a molecular weight of 295.43 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine is sourced from PubChem (CID 91008575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).