1-(2-methoxyphenyl)-4-[3-(1-phenyltriazol-4-yl)propyl]piperazine

C22H27N5O — CID 118719791

IUPAC1-(2-methoxyphenyl)-4-[3-(1-phenyltriazol-4-yl)propyl]piperazine
SMILESCOc1ccccc1N1CCN(CCCc2cn(-c3ccccc3)nn2)CC1
InChIInChI=1S/C22H27N5O/c1-28-22-12-6-5-11-21(22)26-16-14-25(15-17-26)13-7-8-19-18-27(24-23-19)20-9-3-2-4-10-20/h2-6,9-12,18H,7-8,13-17H2,1H3
InChIKeyXQESGARESDXCGW-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.03
Rot. Bonds7

About 1-(2-methoxyphenyl)-4-[3-(1-phenyltriazol-4-yl)propyl]piperazine

1-(2-methoxyphenyl)-4-[3-(1-phenyltriazol-4-yl)propyl]piperazine (PubChem CID 118719791) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[3-(1-phenyltriazol-4-yl)propyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[3-(1-phenyltriazol-4-yl)propyl]piperazine
PubChem CID118719791
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-(2-methoxyphenyl)-4-[3-(1-phenyltriazol-4-yl)propyl]piperazine
SMILESCOc1ccccc1N1CCN(CCCc2cn(-c3ccccc3)nn2)CC1
InChIInChI=1S/C22H27N5O/c1-28-22-12-6-5-11-21(22)26-16-14-25(15-17-26)13-7-8-19-18-27(24-23-19)20-9-3-2-4-10-20/h2-6,9-12,18H,7-8,13-17H2,1H3
InChIKeyXQESGARESDXCGW-UHFFFAOYSA-N
XLogP3.03
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[3-(1-phenyltriazol-4-yl)propyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[3-(1-phenyltriazol-4-yl)propyl]piperazine (CID 118719791) is 1-(2-methoxyphenyl)-4-[3-(1-phenyltriazol-4-yl)propyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[3-(1-phenyltriazol-4-yl)propyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[3-(1-phenyltriazol-4-yl)propyl]piperazine is COc1ccccc1N1CCN(CCCc2cn(-c3ccccc3)nn2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[3-(1-phenyltriazol-4-yl)propyl]piperazine?
The InChIKey is XQESGARESDXCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-28-22-12-6-5-11-21(22)26-16-14-25(15-17-26)13-7-8-19-18-27(24-23-19)20-9-3-2-4-10-20/h2-6,9-12,18H,7-8,13-17H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[3-(1-phenyltriazol-4-yl)propyl]piperazine?
1-(2-methoxyphenyl)-4-[3-(1-phenyltriazol-4-yl)propyl]piperazine has a molecular weight of 377.49 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[3-(1-phenyltriazol-4-yl)propyl]piperazine is sourced from PubChem (CID 118719791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).