2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole

C20H25N5O — CID 577725

IUPAC2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole
SMILESCOc1ccccc1N1CCN(CCCn2nc3ccccc3n2)CC1
InChIInChI=1S/C20H25N5O/c1-26-20-10-5-4-9-19(20)24-15-13-23(14-16-24)11-6-12-25-21-17-7-2-3-8-18(17)22-25/h2-5,7-10H,6,11-16H2,1H3
InChIKeyVFVXNLBMVIUSTN-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.65
Rot. Bonds6

About 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole

2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole (PubChem CID 577725) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole.

Molecular Properties

Compound Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole
PubChem CID577725
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole
SMILESCOc1ccccc1N1CCN(CCCn2nc3ccccc3n2)CC1
InChIInChI=1S/C20H25N5O/c1-26-20-10-5-4-9-19(20)24-15-13-23(14-16-24)11-6-12-25-21-17-7-2-3-8-18(17)22-25/h2-5,7-10H,6,11-16H2,1H3
InChIKeyVFVXNLBMVIUSTN-UHFFFAOYSA-N
XLogP2.65
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole?
The IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole (CID 577725) is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole.
What is the SMILES notation for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole?
The canonical SMILES for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole is COc1ccccc1N1CCN(CCCn2nc3ccccc3n2)CC1.
What is the InChIKey of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole?
The InChIKey is VFVXNLBMVIUSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-26-20-10-5-4-9-19(20)24-15-13-23(14-16-24)11-6-12-25-21-17-7-2-3-8-18(17)22-25/h2-5,7-10H,6,11-16H2,1H3.
What are the key properties of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole?
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole has a molecular weight of 351.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole is sourced from PubChem (CID 577725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).