1-[(3-methylphenyl)methyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine

C20H24N6 — CID 34127088

IUPAC1-[(3-methylphenyl)methyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine
SMILESCc1cccc(CN2CCN(Cc3nnnn3-c3ccccc3)CC2)c1
InChIInChI=1S/C20H24N6/c1-17-6-5-7-18(14-17)15-24-10-12-25(13-11-24)16-20-21-22-23-26(20)19-8-3-2-4-9-19/h2-9,14H,10-13,15-16H2,1H3
InChIKeyXPXZRMNWINETRR-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.29
Rot. Bonds5

About 1-[(3-methylphenyl)methyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine

1-[(3-methylphenyl)methyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine (PubChem CID 34127088) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine
PubChem CID34127088
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name1-[(3-methylphenyl)methyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine
SMILESCc1cccc(CN2CCN(Cc3nnnn3-c3ccccc3)CC2)c1
InChIInChI=1S/C20H24N6/c1-17-6-5-7-18(14-17)15-24-10-12-25(13-11-24)16-20-21-22-23-26(20)19-8-3-2-4-9-19/h2-9,14H,10-13,15-16H2,1H3
InChIKeyXPXZRMNWINETRR-UHFFFAOYSA-N
XLogP2.29
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methylphenyl)-4-[(1-phenyltetrazol-5-yl)methyl]piperazine
CID 18124637
(3-methylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 37085029
1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 37206138
(5-methyl-1,2-oxazol-3-yl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 30857768
(3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 79410432
2-ethyl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 30936083
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 34405473
ethyl 4-oxo-4-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]butanoate
CID 30936106
1-(2,4-dimethylphenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine
CID 29339887
1-(azepan-1-yl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 30738891
1-(2-chlorophenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine
CID 30858508

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine?
The IUPAC name of 1-[(3-methylphenyl)methyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine (CID 34127088) is 1-[(3-methylphenyl)methyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine is Cc1cccc(CN2CCN(Cc3nnnn3-c3ccccc3)CC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine?
The InChIKey is XPXZRMNWINETRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-17-6-5-7-18(14-17)15-24-10-12-25(13-11-24)16-20-21-22-23-26(20)19-8-3-2-4-9-19/h2-9,14H,10-13,15-16H2,1H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine?
1-[(3-methylphenyl)methyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine has a molecular weight of 348.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine is sourced from PubChem (CID 34127088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).