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

C19H22N6 — CID 651964

IUPAC2-methyl-1-(3-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCc1cccc(N2CCN(c3nnnn3-c3ccccc3)CC2C)c1
InChIInChI=1S/C19H22N6/c1-15-7-6-10-18(13-15)24-12-11-23(14-16(24)2)19-20-21-22-25(19)17-8-4-3-5-9-17/h3-10,13,16H,11-12,14H2,1-2H3
InChIKeyKEWKNAWMGYDIEL-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.69
Rot. Bonds3

About 2-methyl-1-(3-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine

2-methyl-1-(3-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 651964) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-methyl-1-(3-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name2-methyl-1-(3-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID651964
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name2-methyl-1-(3-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCc1cccc(N2CCN(c3nnnn3-c3ccccc3)CC2C)c1
InChIInChI=1S/C19H22N6/c1-15-7-6-10-18(13-15)24-12-11-23(14-16(24)2)19-20-21-22-25(19)17-8-4-3-5-9-17/h3-10,13,16H,11-12,14H2,1-2H3
InChIKeyKEWKNAWMGYDIEL-UHFFFAOYSA-N
XLogP2.69
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine
CID 1448756
(4-{(4-Cyclohexyl-piperazin-1-yl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-phenyl)-dimethyl-amine
CID 646036
4-Benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
1-phenyl-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine
CID 710950
1-(2,5-dimethylphenyl)-4-(1-phenyl-1H-1,2,3,4-tetraazol-5-yl)piperazine
CID 5152494
Dimethyl-{4-[2-(1-phenyl-1H-tetrazol-5-yl)-vinyl]-phenyl}-amine
CID 5749675
1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360405
1-[cyclopropyl-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360407
1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360422
1-(2-fluorophenyl)-4-(1-phenyl-1H-tetrazol-5-yl)piperazine
CID 705849
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-phenyl-methyl]-4-(2,3-dimethyl-phenyl)-piperazine
CID 3208886
2,3,3-Trimethyl-1-(1-phenyltetrazol-5-yl)-1,4-dihydroisoquinoline
CID 4039456

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 2-methyl-1-(3-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine (CID 651964) is 2-methyl-1-(3-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 2-methyl-1-(3-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 2-methyl-1-(3-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine is Cc1cccc(N2CCN(c3nnnn3-c3ccccc3)CC2C)c1.
What is the InChIKey of 2-methyl-1-(3-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is KEWKNAWMGYDIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-15-7-6-10-18(13-15)24-12-11-23(14-16(24)2)19-20-21-22-25(19)17-8-4-3-5-9-17/h3-10,13,16H,11-12,14H2,1-2H3.
What are the key properties of 2-methyl-1-(3-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
2-methyl-1-(3-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 334.43 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 651964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).