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

C19H28N4O — CID 136522753

IUPAC4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
SMILESCCOc1ccc(CCC2CCN(CCn3cncn3)CC2)cc1
InChIInChI=1S/C19H28N4O/c1-2-24-19-7-5-17(6-8-19)3-4-18-9-11-22(12-10-18)13-14-23-16-20-15-21-23/h5-8,15-16,18H,2-4,9-14H2,1H3
InChIKeyPYNPXIGQLPENMS-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.02
Rot. Bonds8

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

4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine (PubChem CID 136522753) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
PubChem CID136522753
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
SMILESCCOc1ccc(CCC2CCN(CCn3cncn3)CC2)cc1
InChIInChI=1S/C19H28N4O/c1-2-24-19-7-5-17(6-8-19)3-4-18-9-11-22(12-10-18)13-14-23-16-20-15-21-23/h5-8,15-16,18H,2-4,9-14H2,1H3
InChIKeyPYNPXIGQLPENMS-UHFFFAOYSA-N
XLogP3.02
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 33304479
4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-methyltriazol-4-yl)ethyl]piperidine
CID 138037459
(3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 95715235
[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanamine
CID 119909413
1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 147131335
1-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 143132022
1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone
CID 55514283
3-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 119275974
1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine
CID 166938631
1-[(4-methylsulfanylphenyl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 74235053
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The IUPAC name of 4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine (CID 136522753) is 4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The canonical SMILES for 4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine is CCOc1ccc(CCC2CCN(CCn3cncn3)CC2)cc1.
What is the InChIKey of 4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The InChIKey is PYNPXIGQLPENMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-2-24-19-7-5-17(6-8-19)3-4-18-9-11-22(12-10-18)13-14-23-16-20-15-21-23/h5-8,15-16,18H,2-4,9-14H2,1H3.
What are the key properties of 4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine has a molecular weight of 328.46 g/mol, XLogP of 3.02, 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-(1,2,4-triazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 136522753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).