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

C15H22ClN5O — CID 142648010

IUPAC1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride
SMILESCOc1ccccc1N1CCN(CCc2cn[nH]n2)CC1.Cl
InChIInChI=1S/C15H21N5O.ClH/c1-21-15-5-3-2-4-14(15)20-10-8-19(9-11-20)7-6-13-12-16-18-17-13;/h2-5,12H,6-11H2,1H3,(H,16,17,18);1H
InChIKeyLTEGWHDIGWOZDX-UHFFFAOYSA-N
MW323.83 g/mol
LogP1.60
Rot. Bonds5

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

1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride (PubChem CID 142648010) has the molecular formula C15H22ClN5O and a molecular weight of 323.83 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride
PubChem CID142648010
Molecular FormulaC15H22ClN5O
Molecular Weight323.83 g/mol
Exact Mass323.15
IUPAC Name1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride
SMILESCOc1ccccc1N1CCN(CCc2cn[nH]n2)CC1.Cl
InChIInChI=1S/C15H21N5O.ClH/c1-21-15-5-3-2-4-14(15)20-10-8-19(9-11-20)7-6-13-12-16-18-17-13;/h2-5,12H,6-11H2,1H3,(H,16,17,18);1H
InChIKeyLTEGWHDIGWOZDX-UHFFFAOYSA-N
XLogP1.60
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride (CID 142648010) is 1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride is COc1ccccc1N1CCN(CCc2cn[nH]n2)CC1.Cl.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride?
The InChIKey is LTEGWHDIGWOZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.ClH/c1-21-15-5-3-2-4-14(15)20-10-8-19(9-11-20)7-6-13-12-16-18-17-13;/h2-5,12H,6-11H2,1H3,(H,16,17,18);1H.
What are the key properties of 1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride?
1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride has a molecular weight of 323.83 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[2-(2H-triazol-4-yl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 142648010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).