1-(3-phenylprop-2-enyl)-4-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]methyl]piperazine

C24H30N6 — CID 68694318

IUPAC1-(3-phenylprop-2-enyl)-4-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]methyl]piperazine
SMILESCC(C)n1nnnc1-c1ccccc1CN1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C24H30N6/c1-20(2)30-24(25-26-27-30)23-13-7-6-12-22(23)19-29-17-15-28(16-18-29)14-8-11-21-9-4-3-5-10-21/h3-13,20H,14-19H2,1-2H3
InChIKeyJLHATARXNBWLKA-UHFFFAOYSA-N
MW402.55 g/mol
LogP3.75
Rot. Bonds7

About 1-(3-phenylprop-2-enyl)-4-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]methyl]piperazine

1-(3-phenylprop-2-enyl)-4-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]methyl]piperazine (PubChem CID 68694318) has the molecular formula C24H30N6 and a molecular weight of 402.55 g/mol. Its IUPAC name is 1-(3-phenylprop-2-enyl)-4-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-(3-phenylprop-2-enyl)-4-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]methyl]piperazine
PubChem CID68694318
Molecular FormulaC24H30N6
Molecular Weight402.55 g/mol
Exact Mass402.25
IUPAC Name1-(3-phenylprop-2-enyl)-4-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]methyl]piperazine
SMILESCC(C)n1nnnc1-c1ccccc1CN1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C24H30N6/c1-20(2)30-24(25-26-27-30)23-13-7-6-12-22(23)19-29-17-15-28(16-18-29)14-8-11-21-9-4-3-5-10-21/h3-13,20H,14-19H2,1-2H3
InChIKeyJLHATARXNBWLKA-UHFFFAOYSA-N
XLogP3.75
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-2-methoxyphenyl]methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 91079939
1-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;1-[(R)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 160503508
1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377377
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]-3-pyridinyl]methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 68692063
1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]naphthalen-1-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 68694569
1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-nitrophenyl]methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 90695662
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 1376874
1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
CID 92904353
1-[(Z)-3-phenylprop-2-enyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazine
CID 2244938
(2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
CID 95322641
2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 22199821

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylprop-2-enyl)-4-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]methyl]piperazine?
The IUPAC name of 1-(3-phenylprop-2-enyl)-4-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]methyl]piperazine (CID 68694318) is 1-(3-phenylprop-2-enyl)-4-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-(3-phenylprop-2-enyl)-4-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]methyl]piperazine?
The canonical SMILES for 1-(3-phenylprop-2-enyl)-4-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]methyl]piperazine is CC(C)n1nnnc1-c1ccccc1CN1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenylprop-2-enyl)-4-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]methyl]piperazine?
The InChIKey is JLHATARXNBWLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6/c1-20(2)30-24(25-26-27-30)23-13-7-6-12-22(23)19-29-17-15-28(16-18-29)14-8-11-21-9-4-3-5-10-21/h3-13,20H,14-19H2,1-2H3.
What are the key properties of 1-(3-phenylprop-2-enyl)-4-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]methyl]piperazine?
1-(3-phenylprop-2-enyl)-4-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]methyl]piperazine has a molecular weight of 402.55 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylprop-2-enyl)-4-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]methyl]piperazine is sourced from PubChem (CID 68694318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).