1-[[4-(oxolan-2-ylmethyl)-3-phenyl-2H-tetrazol-5-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine

C26H34N6O — CID 69266940

IUPAC1-[[4-(oxolan-2-ylmethyl)-3-phenyl-2H-tetrazol-5-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine
SMILESC(=Cc1ccccc1)CN1CCN(CC2=NNN(c3ccccc3)N2CC2CCCO2)CC1
InChIInChI=1S/C26H34N6O/c1-3-9-23(10-4-1)11-7-15-29-16-18-30(19-17-29)22-26-27-28-32(24-12-5-2-6-13-24)31(26)21-25-14-8-20-33-25/h1-7,9-13,25,28H,8,14-22H2
InChIKeyZEMDLQQORKXQPL-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.05
Rot. Bonds8

About 1-[[4-(oxolan-2-ylmethyl)-3-phenyl-2H-tetrazol-5-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine

1-[[4-(oxolan-2-ylmethyl)-3-phenyl-2H-tetrazol-5-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine (PubChem CID 69266940) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 1-[[4-(oxolan-2-ylmethyl)-3-phenyl-2H-tetrazol-5-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-[[4-(oxolan-2-ylmethyl)-3-phenyl-2H-tetrazol-5-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine
PubChem CID69266940
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name1-[[4-(oxolan-2-ylmethyl)-3-phenyl-2H-tetrazol-5-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine
SMILESC(=Cc1ccccc1)CN1CCN(CC2=NNN(c3ccccc3)N2CC2CCCO2)CC1
InChIInChI=1S/C26H34N6O/c1-3-9-23(10-4-1)11-7-15-29-16-18-30(19-17-29)22-26-27-28-32(24-12-5-2-6-13-24)31(26)21-25-14-8-20-33-25/h1-7,9-13,25,28H,8,14-22H2
InChIKeyZEMDLQQORKXQPL-UHFFFAOYSA-N
XLogP3.05
TPSA46.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[4-(oxolan-2-ylmethyl)-3-phenyl-2H-tetrazol-5-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine with MolForge

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Related Compounds

1-[[3-(4-chlorophenyl)-4-(2,6-dimethylphenyl)-2H-tetrazol-5-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 91060930
3-oxo-N-(oxolan-2-ylmethyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108943657
1-[[4-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)-2H-tetrazol-5-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 91520370
3-[(2S)-oxolan-2-yl]-7-[(E)-3-phenylprop-2-enyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 26321948
(E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
CID 7323694
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 23761036
1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377377
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
(2R)-4-[(Z)-3-phenylprop-2-enyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 98172915
1-[(3,4-dichlorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;oxalic acid
CID 163327107
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(oxolan-2-ylmethyl)-3-phenyl-2H-tetrazol-5-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine?
The IUPAC name of 1-[[4-(oxolan-2-ylmethyl)-3-phenyl-2H-tetrazol-5-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine (CID 69266940) is 1-[[4-(oxolan-2-ylmethyl)-3-phenyl-2H-tetrazol-5-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine.
What is the SMILES notation for 1-[[4-(oxolan-2-ylmethyl)-3-phenyl-2H-tetrazol-5-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine?
The canonical SMILES for 1-[[4-(oxolan-2-ylmethyl)-3-phenyl-2H-tetrazol-5-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine is C(=Cc1ccccc1)CN1CCN(CC2=NNN(c3ccccc3)N2CC2CCCO2)CC1.
What is the InChIKey of 1-[[4-(oxolan-2-ylmethyl)-3-phenyl-2H-tetrazol-5-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine?
The InChIKey is ZEMDLQQORKXQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-3-9-23(10-4-1)11-7-15-29-16-18-30(19-17-29)22-26-27-28-32(24-12-5-2-6-13-24)31(26)21-25-14-8-20-33-25/h1-7,9-13,25,28H,8,14-22H2.
What are the key properties of 1-[[4-(oxolan-2-ylmethyl)-3-phenyl-2H-tetrazol-5-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine?
1-[[4-(oxolan-2-ylmethyl)-3-phenyl-2H-tetrazol-5-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine has a molecular weight of 446.60 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(oxolan-2-ylmethyl)-3-phenyl-2H-tetrazol-5-yl]methyl]-4-(3-phenylprop-2-enyl)piperazine is sourced from PubChem (CID 69266940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).