1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzotriazole

C19H23N5O — CID 10042704

IUPAC1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzotriazole
SMILESCOc1ccccc1N1CCN(CCn2nnc3ccccc32)CC1
InChIInChI=1S/C19H23N5O/c1-25-19-9-5-4-8-18(19)23-13-10-22(11-14-23)12-15-24-17-7-3-2-6-16(17)20-21-24/h2-9H,10-15H2,1H3
InChIKeyCZDWXDSOSZZJJP-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.26
Rot. Bonds5

About 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzotriazole

1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzotriazole (PubChem CID 10042704) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzotriazole.

Molecular Properties

Compound Name1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzotriazole
PubChem CID10042704
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzotriazole
SMILESCOc1ccccc1N1CCN(CCn2nnc3ccccc32)CC1
InChIInChI=1S/C19H23N5O/c1-25-19-9-5-4-8-18(19)23-13-10-22(11-14-23)12-15-24-17-7-3-2-6-16(17)20-21-24/h2-9H,10-15H2,1H3
InChIKeyCZDWXDSOSZZJJP-UHFFFAOYSA-N
XLogP2.26
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzotriazole?
The IUPAC name of 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzotriazole (CID 10042704) is 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzotriazole.
What is the SMILES notation for 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzotriazole?
The canonical SMILES for 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzotriazole is COc1ccccc1N1CCN(CCn2nnc3ccccc32)CC1.
What is the InChIKey of 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzotriazole?
The InChIKey is CZDWXDSOSZZJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-25-19-9-5-4-8-18(19)23-13-10-22(11-14-23)12-15-24-17-7-3-2-6-16(17)20-21-24/h2-9H,10-15H2,1H3.
What are the key properties of 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzotriazole?
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzotriazole has a molecular weight of 337.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzotriazole is sourced from PubChem (CID 10042704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).