1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine

C24H32N6 — CID 1446057

IUPAC1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN([C@@H](c3nnnn3Cc3ccccc3)C(C)C)CC2)c1C
InChIInChI=1S/C24H32N6/c1-18(2)23(24-25-26-27-30(24)17-21-10-6-5-7-11-21)29-15-13-28(14-16-29)22-12-8-9-19(3)20(22)4/h5-12,18,23H,13-17H2,1-4H3/t23-/m1/s1
InChIKeyGJZNFJLTFHRZPR-HSZRJFAPSA-N
MW404.56 g/mol
LogP3.86
Rot. Bonds6

About 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine

1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine (PubChem CID 1446057) has the molecular formula C24H32N6 and a molecular weight of 404.56 g/mol. Its IUPAC name is 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine
PubChem CID1446057
Molecular FormulaC24H32N6
Molecular Weight404.56 g/mol
Exact Mass404.27
IUPAC Name1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN([C@@H](c3nnnn3Cc3ccccc3)C(C)C)CC2)c1C
InChIInChI=1S/C24H32N6/c1-18(2)23(24-25-26-27-30(24)17-21-10-6-5-7-11-21)29-15-13-28(14-16-29)22-12-8-9-19(3)20(22)4/h5-12,18,23H,13-17H2,1-4H3/t23-/m1/s1
InChIKeyGJZNFJLTFHRZPR-HSZRJFAPSA-N
XLogP3.86
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine
CID 1446070
1-(2,3-dimethylphenyl)-4-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]piperazine
CID 3210420
1-[(1S)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-(2-methoxyphenyl)piperazine
CID 1446486
1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 1446723
1-(2,3-dimethylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 3210069
7-[(1-benzyltetrazol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 3183603
1-[(1R)-1-(1-benzyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazine
CID 1446104
1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine chloride
CID 53313923
1-(2,3-dimethylphenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-pyridin-2-ylmethyl]piperazine
CID 7417139
1-(2,3-dimethylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 4990315
1-[(1S)-1-(1-benzyltetrazol-5-yl)-3-methylbutyl]-4-(2-methoxyphenyl)piperazine
CID 1446106
1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline
CID 1438596

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine (CID 1446057) is 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine is Cc1cccc(N2CCN([C@@H](c3nnnn3Cc3ccccc3)C(C)C)CC2)c1C.
What is the InChIKey of 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is GJZNFJLTFHRZPR-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H32N6/c1-18(2)23(24-25-26-27-30(24)17-21-10-6-5-7-11-21)29-15-13-28(14-16-29)22-12-8-9-19(3)20(22)4/h5-12,18,23H,13-17H2,1-4H3/t23-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine?
1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 404.56 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 1446057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).