1-(2,3-dimethylphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine

C25H32N6O — CID 647989

IUPAC1-(2,3-dimethylphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine
SMILESCc1cccc(N2CCN(C(c3ccccc3)c3nnnn3CC3CCCO3)CC2)c1C
InChIInChI=1S/C25H32N6O/c1-19-8-6-12-23(20(19)2)29-13-15-30(16-14-29)24(21-9-4-3-5-10-21)25-26-27-28-31(25)18-22-11-7-17-32-22/h3-6,8-10,12,22,24H,7,11,13-18H2,1-2H3
InChIKeyYSWDVDXLKARVHE-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.38
Rot. Bonds6

About 1-(2,3-dimethylphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine

1-(2,3-dimethylphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine (PubChem CID 647989) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine
PubChem CID647989
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name1-(2,3-dimethylphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine
SMILESCc1cccc(N2CCN(C(c3ccccc3)c3nnnn3CC3CCCO3)CC2)c1C
InChIInChI=1S/C25H32N6O/c1-19-8-6-12-23(20(19)2)29-13-15-30(16-14-29)24(21-9-4-3-5-10-21)25-26-27-28-31(25)18-22-11-7-17-32-22/h3-6,8-10,12,22,24H,7,11,13-18H2,1-2H3
InChIKeyYSWDVDXLKARVHE-UHFFFAOYSA-N
XLogP3.38
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2,3-dimethylphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine (CID 647989) is 1-(2,3-dimethylphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine is Cc1cccc(N2CCN(C(c3ccccc3)c3nnnn3CC3CCCO3)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine?
The InChIKey is YSWDVDXLKARVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-19-8-6-12-23(20(19)2)29-13-15-30(16-14-29)24(21-9-4-3-5-10-21)25-26-27-28-31(25)18-22-11-7-17-32-22/h3-6,8-10,12,22,24H,7,11,13-18H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine?
1-(2,3-dimethylphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine has a molecular weight of 432.57 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine is sourced from PubChem (CID 647989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).