methyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride

C17H24ClN5O3 — CID 142648016

IUPACmethyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride
SMILESCOC(=O)c1cn(CCN2CCN(c3ccccc3OC)CC2)nn1.Cl
InChIInChI=1S/C17H23N5O3.ClH/c1-24-16-6-4-3-5-15(16)21-10-7-20(8-11-21)9-12-22-13-14(18-19-22)17(23)25-2;/h3-6,13H,7-12H2,1-2H3;1H
InChIKeyRZAKPLKVBCZSHJ-UHFFFAOYSA-N
MW381.86 g/mol
LogP1.32
Rot. Bonds6

About methyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride

methyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride (PubChem CID 142648016) has the molecular formula C17H24ClN5O3 and a molecular weight of 381.86 g/mol. Its IUPAC name is methyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride
PubChem CID142648016
Molecular FormulaC17H24ClN5O3
Molecular Weight381.86 g/mol
Exact Mass381.16
IUPAC Namemethyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride
SMILESCOC(=O)c1cn(CCN2CCN(c3ccccc3OC)CC2)nn1.Cl
InChIInChI=1S/C17H23N5O3.ClH/c1-24-16-6-4-3-5-15(16)21-10-7-20(8-11-21)9-12-22-13-14(18-19-22)17(23)25-2;/h3-6,13H,7-12H2,1-2H3;1H
InChIKeyRZAKPLKVBCZSHJ-UHFFFAOYSA-N
XLogP1.32
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
CID 142648062
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methyl 1-[2-(4-methylpiperazin-1-yl)ethyl]triazole-4-carboxylate
CID 103107571
methyl 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride
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methyl 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]triazole-4-carboxylate
CID 142709645
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923
1-[2-[4-[1-(2-methoxyphenyl)propan-2-yl]piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 45229473
N'-(2-methoxyethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268802
propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 110186525
ethyl 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylamino]-4,6-dimethylpyrimidine-5-carboxylate
CID 10347539

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride?
The IUPAC name of methyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride (CID 142648016) is methyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride is COC(=O)c1cn(CCN2CCN(c3ccccc3OC)CC2)nn1.Cl.
What is the InChIKey of methyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride?
The InChIKey is RZAKPLKVBCZSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3.ClH/c1-24-16-6-4-3-5-15(16)21-10-7-20(8-11-21)9-12-22-13-14(18-19-22)17(23)25-2;/h3-6,13H,7-12H2,1-2H3;1H.
What are the key properties of methyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride?
methyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride has a molecular weight of 381.86 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 142648016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).