1-benzhydryl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine

C24H32N6 — CID 3209083

IUPAC1-benzhydryl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
SMILESCCC(C)(C)n1nnnc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H32N6/c1-4-24(2,3)30-22(25-26-27-30)19-28-15-17-29(18-16-28)23(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,23H,4,15-19H2,1-3H3
InChIKeyHWNCNYMVSQNVOB-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.73
Rot. Bonds7

About 1-benzhydryl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine

1-benzhydryl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine (PubChem CID 3209083) has the molecular formula C24H32N6 and a molecular weight of 404.56 g/mol. Its IUPAC name is 1-benzhydryl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
PubChem CID3209083
Molecular FormulaC24H32N6
Molecular Weight404.56 g/mol
Exact Mass404.27
IUPAC Name1-benzhydryl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
SMILESCCC(C)(C)n1nnnc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H32N6/c1-4-24(2,3)30-22(25-26-27-30)19-28-15-17-29(18-16-28)23(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,23H,4,15-19H2,1-3H3
InChIKeyHWNCNYMVSQNVOB-UHFFFAOYSA-N
XLogP3.73
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-benzhydryl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine (CID 3209083) is 1-benzhydryl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-benzhydryl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-benzhydryl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine is CCC(C)(C)n1nnnc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is HWNCNYMVSQNVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6/c1-4-24(2,3)30-22(25-26-27-30)19-28-15-17-29(18-16-28)23(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,23H,4,15-19H2,1-3H3.
What are the key properties of 1-benzhydryl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine?
1-benzhydryl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 404.56 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 3209083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).