1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-methoxyphenyl)piperazine

C28H32N6O — CID 132578504

IUPAC1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H32N6O/c1-35-26-16-9-8-15-25(26)33-21-19-32(20-22-33)17-10-18-34-28(29-30-31-34)27(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-9,11-16,27H,10,17-22H2,1H3
InChIKeyHVOHLUNNYMNOQY-UHFFFAOYSA-N
MW468.61 g/mol
LogP4.07
Rot. Bonds9

About 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-methoxyphenyl)piperazine

1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 132578504) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
PubChem CID132578504
Molecular FormulaC28H32N6O
Molecular Weight468.61 g/mol
Exact Mass468.26
IUPAC Name1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H32N6O/c1-35-26-16-9-8-15-25(26)33-21-19-32(20-22-33)17-10-18-34-28(29-30-31-34)27(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-9,11-16,27H,10,17-22H2,1H3
InChIKeyHVOHLUNNYMNOQY-UHFFFAOYSA-N
XLogP4.07
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-methoxyphenyl)piperazine (CID 132578504) is 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is HVOHLUNNYMNOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O/c1-35-26-16-9-8-15-25(26)33-21-19-32(20-22-33)17-10-18-34-28(29-30-31-34)27(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-9,11-16,27H,10,17-22H2,1H3.
What are the key properties of 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-methoxyphenyl)piperazine?
1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 468.61 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 132578504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).