4-[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine

C16H22N4O2 — CID 131927834

IUPAC4-[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine
SMILESCCOc1ccc(OCc2nc(C3CCNCC3)n[nH]2)cc1
InChIInChI=1S/C16H22N4O2/c1-2-21-13-3-5-14(6-4-13)22-11-15-18-16(20-19-15)12-7-9-17-10-8-12/h3-6,12,17H,2,7-11H2,1H3,(H,18,19,20)
InChIKeyVPUYGFDADYRANY-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.25
Rot. Bonds6

About 4-[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine

4-[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine (PubChem CID 131927834) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine
PubChem CID131927834
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine
SMILESCCOc1ccc(OCc2nc(C3CCNCC3)n[nH]2)cc1
InChIInChI=1S/C16H22N4O2/c1-2-21-13-3-5-14(6-4-13)22-11-15-18-16(20-19-15)12-7-9-17-10-8-12/h3-6,12,17H,2,7-11H2,1H3,(H,18,19,20)
InChIKeyVPUYGFDADYRANY-UHFFFAOYSA-N
XLogP2.25
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-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

Related Compounds

3-cyclopropyl-5-(phenoxymethyl)-1H-1,2,4-triazole
CID 61336550
4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 82463437
4-(4-ethoxyphenyl)piperidine
CID 21495191
5-[(3-chlorophenoxy)methyl]-3-cyclopropyl-1H-1,2,4-triazole
CID 62228354
4-[5-[(4-tert-butylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidine
CID 82568364
(2S)-2-[5-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine
CID 131946073
4-[(4-ethoxyphenyl)methyl]piperidine
CID 4778265
4-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]piperidine
CID 82568363
2-[5-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]-1-methylazepane
CID 131912704
2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120642114
3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole
CID 61337738
2-[4-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 136552207

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 4-[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine (CID 131927834) is 4-[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 4-[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 4-[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine is CCOc1ccc(OCc2nc(C3CCNCC3)n[nH]2)cc1.
What is the InChIKey of 4-[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine?
The InChIKey is VPUYGFDADYRANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-21-13-3-5-14(6-4-13)22-11-15-18-16(20-19-15)12-7-9-17-10-8-12/h3-6,12,17H,2,7-11H2,1H3,(H,18,19,20).
What are the key properties of 4-[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine?
4-[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine has a molecular weight of 302.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 131927834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).