1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine

C15H21N5O — CID 155941923

IUPAC1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
SMILESCOc1ccccc1N1CCN(CCn2nccn2)CC1
InChIInChI=1S/C15H21N5O/c1-21-15-5-3-2-4-14(15)19-11-8-18(9-12-19)10-13-20-16-6-7-17-20/h2-7H,8-13H2,1H3
InChIKeyNJWGTJJNZMYVML-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.11
Rot. Bonds5

About 1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine

1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine (PubChem CID 155941923) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
PubChem CID155941923
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
SMILESCOc1ccccc1N1CCN(CCn2nccn2)CC1
InChIInChI=1S/C15H21N5O/c1-21-15-5-3-2-4-14(15)19-11-8-18(9-12-19)10-13-20-16-6-7-17-20/h2-7H,8-13H2,1H3
InChIKeyNJWGTJJNZMYVML-UHFFFAOYSA-N
XLogP1.11
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
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8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane
CID 91175369
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
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1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
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N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 10018417
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
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4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
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1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine
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1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride
CID 142648010

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine (CID 155941923) is 1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine is COc1ccccc1N1CCN(CCn2nccn2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine?
The InChIKey is NJWGTJJNZMYVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-21-15-5-3-2-4-14(15)19-11-8-18(9-12-19)10-13-20-16-6-7-17-20/h2-7H,8-13H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine?
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine has a molecular weight of 287.37 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine is sourced from PubChem (CID 155941923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).