1-benzyl-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine

C24H32N6O — CID 3209925

IUPAC1-benzyl-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H32N6O/c1-3-7-23(29-16-14-28(15-17-29)18-20-8-5-4-6-9-20)24-25-26-27-30(24)19-21-10-12-22(31-2)13-11-21/h4-6,8-13,23H,3,7,14-19H2,1-2H3
InChIKeyVLMZIRYVMQEMHY-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.39
Rot. Bonds9

About 1-benzyl-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine

1-benzyl-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine (PubChem CID 3209925) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-benzyl-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine
PubChem CID3209925
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name1-benzyl-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H32N6O/c1-3-7-23(29-16-14-28(15-17-29)18-20-8-5-4-6-9-20)24-25-26-27-30(24)19-21-10-12-22(31-2)13-11-21/h4-6,8-13,23H,3,7,14-19H2,1-2H3
InChIKeyVLMZIRYVMQEMHY-UHFFFAOYSA-N
XLogP3.39
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-benzyl-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine (CID 3209925) is 1-benzyl-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-benzyl-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine is CCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine?
The InChIKey is VLMZIRYVMQEMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-3-7-23(29-16-14-28(15-17-29)18-20-8-5-4-6-9-20)24-25-26-27-30(24)19-21-10-12-22(31-2)13-11-21/h4-6,8-13,23H,3,7,14-19H2,1-2H3.
What are the key properties of 1-benzyl-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine?
1-benzyl-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine has a molecular weight of 420.56 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine is sourced from PubChem (CID 3209925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).