1-(4-methoxyphenyl)-4-[2-(5-methyl-1,2,4-triazol-1-yl)phenyl]piperazine

C20H23N5O — CID 70586248

IUPAC1-(4-methoxyphenyl)-4-[2-(5-methyl-1,2,4-triazol-1-yl)phenyl]piperazine
SMILESCOc1ccc(N2CCN(c3ccccc3-n3ncnc3C)CC2)cc1
InChIInChI=1S/C20H23N5O/c1-16-21-15-22-25(16)20-6-4-3-5-19(20)24-13-11-23(12-14-24)17-7-9-18(26-2)10-8-17/h3-10,15H,11-14H2,1-2H3
InChIKeyWTBQFZUICMAWKU-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.91
Rot. Bonds4

About 1-(4-methoxyphenyl)-4-[2-(5-methyl-1,2,4-triazol-1-yl)phenyl]piperazine

1-(4-methoxyphenyl)-4-[2-(5-methyl-1,2,4-triazol-1-yl)phenyl]piperazine (PubChem CID 70586248) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[2-(5-methyl-1,2,4-triazol-1-yl)phenyl]piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[2-(5-methyl-1,2,4-triazol-1-yl)phenyl]piperazine
PubChem CID70586248
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-(4-methoxyphenyl)-4-[2-(5-methyl-1,2,4-triazol-1-yl)phenyl]piperazine
SMILESCOc1ccc(N2CCN(c3ccccc3-n3ncnc3C)CC2)cc1
InChIInChI=1S/C20H23N5O/c1-16-21-15-22-25(16)20-6-4-3-5-19(20)24-13-11-23(12-14-24)17-7-9-18(26-2)10-8-17/h3-10,15H,11-14H2,1-2H3
InChIKeyWTBQFZUICMAWKU-UHFFFAOYSA-N
XLogP2.91
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163353209
1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1301905
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,6-naphthyridine
CID 91953450
4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline
CID 71478784
1-(4-methoxyphenyl)piperidine
CID 10130315
1-[2-[4-(4-methoxyphenyl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine
CID 121400771
15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene
CID 101382430
4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3-methyl-1H-1,2,4-triazole-5-thione
CID 12877026
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 7753218
6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 112864698
[4-(4-methoxyphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone
CID 982285

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[2-(5-methyl-1,2,4-triazol-1-yl)phenyl]piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-[2-(5-methyl-1,2,4-triazol-1-yl)phenyl]piperazine (CID 70586248) is 1-(4-methoxyphenyl)-4-[2-(5-methyl-1,2,4-triazol-1-yl)phenyl]piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[2-(5-methyl-1,2,4-triazol-1-yl)phenyl]piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[2-(5-methyl-1,2,4-triazol-1-yl)phenyl]piperazine is COc1ccc(N2CCN(c3ccccc3-n3ncnc3C)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[2-(5-methyl-1,2,4-triazol-1-yl)phenyl]piperazine?
The InChIKey is WTBQFZUICMAWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-16-21-15-22-25(16)20-6-4-3-5-19(20)24-13-11-23(12-14-24)17-7-9-18(26-2)10-8-17/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-[2-(5-methyl-1,2,4-triazol-1-yl)phenyl]piperazine?
1-(4-methoxyphenyl)-4-[2-(5-methyl-1,2,4-triazol-1-yl)phenyl]piperazine has a molecular weight of 349.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[2-(5-methyl-1,2,4-triazol-1-yl)phenyl]piperazine is sourced from PubChem (CID 70586248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).