4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-methyltriazol-4-yl)ethyl]piperidine

C20H30N4O — CID 138037459

IUPAC4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-methyltriazol-4-yl)ethyl]piperidine
SMILESCCOc1ccc(CCC2CCN(CCc3cn(C)nn3)CC2)cc1
InChIInChI=1S/C20H30N4O/c1-3-25-20-8-6-17(7-9-20)4-5-18-10-13-24(14-11-18)15-12-19-16-23(2)22-21-19/h6-9,16,18H,3-5,10-15H2,1-2H3
InChIKeyXFDFGFZRTDYPQA-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.10
Rot. Bonds8

About 4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-methyltriazol-4-yl)ethyl]piperidine

4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-methyltriazol-4-yl)ethyl]piperidine (PubChem CID 138037459) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-methyltriazol-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-methyltriazol-4-yl)ethyl]piperidine
PubChem CID138037459
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-methyltriazol-4-yl)ethyl]piperidine
SMILESCCOc1ccc(CCC2CCN(CCc3cn(C)nn3)CC2)cc1
InChIInChI=1S/C20H30N4O/c1-3-25-20-8-6-17(7-9-20)4-5-18-10-13-24(14-11-18)15-12-19-16-23(2)22-21-19/h6-9,16,18H,3-5,10-15H2,1-2H3
InChIKeyXFDFGFZRTDYPQA-UHFFFAOYSA-N
XLogP3.10
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-methyltriazol-4-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

Related Compounds

4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 136522753
1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 147131335
3-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 119275974
4-[2-(4-ethoxy-2-ethylphenyl)ethyl]-1-methyltriazole
CID 112719523
1,4-bis(2-phenylethyl)piperidine
CID 86059939
1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride
CID 127043453
2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 18142778
2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 55476136
1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone
CID 55514283
4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one
CID 120559552
1-(3-cyclohexylpropyl)-4-ethoxybenzene
CID 57232789
4-(2-methoxyphenyl)-1-[2-(1-methyltriazol-4-yl)ethyl]azepane
CID 138056244

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-methyltriazol-4-yl)ethyl]piperidine?
The IUPAC name of 4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-methyltriazol-4-yl)ethyl]piperidine (CID 138037459) is 4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-methyltriazol-4-yl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-methyltriazol-4-yl)ethyl]piperidine?
The canonical SMILES for 4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-methyltriazol-4-yl)ethyl]piperidine is CCOc1ccc(CCC2CCN(CCc3cn(C)nn3)CC2)cc1.
What is the InChIKey of 4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-methyltriazol-4-yl)ethyl]piperidine?
The InChIKey is XFDFGFZRTDYPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-3-25-20-8-6-17(7-9-20)4-5-18-10-13-24(14-11-18)15-12-19-16-23(2)22-21-19/h6-9,16,18H,3-5,10-15H2,1-2H3.
What are the key properties of 4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-methyltriazol-4-yl)ethyl]piperidine?
4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-methyltriazol-4-yl)ethyl]piperidine has a molecular weight of 342.49 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-methyltriazol-4-yl)ethyl]piperidine is sourced from PubChem (CID 138037459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).