1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-pyridinyl]methyl]-4-(3-phenylprop-2-enyl)piperazine

C28H31N7 — CID 68692063

IUPAC1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-pyridinyl]methyl]-4-(3-phenylprop-2-enyl)piperazine
SMILESCc1cccc(C)c1-n1nnnc1-c1ncccc1CN1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C28H31N7/c1-22-9-6-10-23(2)27(22)35-28(30-31-32-35)26-25(14-7-15-29-26)21-34-19-17-33(18-20-34)16-8-13-24-11-4-3-5-12-24/h3-15H,16-21H2,1-2H3
InChIKeyLAQWINBDVWGMKX-UHFFFAOYSA-N
MW465.61 g/mol
LogP4.17
Rot. Bonds7

About 1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-pyridinyl]methyl]-4-(3-phenylprop-2-enyl)piperazine

1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-pyridinyl]methyl]-4-(3-phenylprop-2-enyl)piperazine (PubChem CID 68692063) has the molecular formula C28H31N7 and a molecular weight of 465.61 g/mol. Its IUPAC name is 1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-pyridinyl]methyl]-4-(3-phenylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-pyridinyl]methyl]-4-(3-phenylprop-2-enyl)piperazine
PubChem CID68692063
Molecular FormulaC28H31N7
Molecular Weight465.61 g/mol
Exact Mass465.26
IUPAC Name1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-pyridinyl]methyl]-4-(3-phenylprop-2-enyl)piperazine
SMILESCc1cccc(C)c1-n1nnnc1-c1ncccc1CN1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C28H31N7/c1-22-9-6-10-23(2)27(22)35-28(30-31-32-35)26-25(14-7-15-29-26)21-34-19-17-33(18-20-34)16-8-13-24-11-4-3-5-12-24/h3-15H,16-21H2,1-2H3
InChIKeyLAQWINBDVWGMKX-UHFFFAOYSA-N
XLogP4.17
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.61
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-pyridinyl]methyl]-4-(3-phenylprop-2-enyl)piperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-[[3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-2-methoxyphenyl]methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 91079939
1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-nitrophenyl]methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 90695662
1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylsulfanylphenyl]methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 69266746
1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]naphthalen-1-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 68694569
1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377377
1-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-pyridin-3-ylmethyl]-4-(3-phenylprop-2-enyl)piperazine
CID 91229978
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-pyridin-4-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 11641270
1-(3-phenylprop-2-enyl)-4-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]methyl]piperazine
CID 68694318
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 68690019
1-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 91551545
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 11719753
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-phenylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 68690266

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-pyridinyl]methyl]-4-(3-phenylprop-2-enyl)piperazine?
The IUPAC name of 1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-pyridinyl]methyl]-4-(3-phenylprop-2-enyl)piperazine (CID 68692063) is 1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-pyridinyl]methyl]-4-(3-phenylprop-2-enyl)piperazine.
What is the SMILES notation for 1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-pyridinyl]methyl]-4-(3-phenylprop-2-enyl)piperazine?
The canonical SMILES for 1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-pyridinyl]methyl]-4-(3-phenylprop-2-enyl)piperazine is Cc1cccc(C)c1-n1nnnc1-c1ncccc1CN1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-pyridinyl]methyl]-4-(3-phenylprop-2-enyl)piperazine?
The InChIKey is LAQWINBDVWGMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7/c1-22-9-6-10-23(2)27(22)35-28(30-31-32-35)26-25(14-7-15-29-26)21-34-19-17-33(18-20-34)16-8-13-24-11-4-3-5-12-24/h3-15H,16-21H2,1-2H3.
What are the key properties of 1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-pyridinyl]methyl]-4-(3-phenylprop-2-enyl)piperazine?
1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-pyridinyl]methyl]-4-(3-phenylprop-2-enyl)piperazine has a molecular weight of 465.61 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-pyridinyl]methyl]-4-(3-phenylprop-2-enyl)piperazine is sourced from PubChem (CID 68692063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).