1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine

C24H32N6 — CID 43812238

IUPAC1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine
SMILESCc1ccc(C)c(N2CCN(C(c3ccccc3)c3nnnn3C(C)(C)C)CC2)c1
InChIInChI=1S/C24H32N6/c1-18-11-12-19(2)21(17-18)28-13-15-29(16-14-28)22(20-9-7-6-8-10-20)23-25-26-27-30(23)24(3,4)5/h6-12,17,22H,13-16H2,1-5H3
InChIKeyAWOXFSIUXJDOAZ-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.96
Rot. Bonds4

About 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine

1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine (PubChem CID 43812238) has the molecular formula C24H32N6 and a molecular weight of 404.56 g/mol. Its IUPAC name is 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine
PubChem CID43812238
Molecular FormulaC24H32N6
Molecular Weight404.56 g/mol
Exact Mass404.27
IUPAC Name1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine
SMILESCc1ccc(C)c(N2CCN(C(c3ccccc3)c3nnnn3C(C)(C)C)CC2)c1
InChIInChI=1S/C24H32N6/c1-18-11-12-19(2)21(17-18)28-13-15-29(16-14-28)22(20-9-7-6-8-10-20)23-25-26-27-30(23)24(3,4)5/h6-12,17,22H,13-16H2,1-5H3
InChIKeyAWOXFSIUXJDOAZ-UHFFFAOYSA-N
XLogP3.96
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-((1-benzyl-1H-tetrazol-5-yl)(4-(4-methylpiperazin-1-yl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159636
1-Benzhydryl-4-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-ylmethyl]-piperazine
CID 3209083
(4-{(4-Cyclohexyl-piperazin-1-yl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-phenyl)-dimethyl-amine
CID 646036
3-{[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-benzonitrile
CID 646213
3-{[4-(2,5-Dimethyl-phenyl)-piperazin-1-yl]-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-benzonitrile
CID 649376
4-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-N,N-dimethylaniline
CID 650290
3-[(1-tert-Butyl-1H-tetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)-methyl]-benzonitrile
CID 651969
1-[1-(1-tert-Butyl-1H-tetrazol-5-yl)-propyl]-4-(5-chloro-2-methyl-phenyl)-piperazine
CID 655300
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-2,3-dihydro-1H-indole
CID 3173811
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-2,3-dihydro-1H-indole
CID 3173816
7-methyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 3182673
1-[1-(1-Tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine
CID 3208847

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine?
The IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine (CID 43812238) is 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine?
The canonical SMILES for 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine is Cc1ccc(C)c(N2CCN(C(c3ccccc3)c3nnnn3C(C)(C)C)CC2)c1.
What is the InChIKey of 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine?
The InChIKey is AWOXFSIUXJDOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6/c1-18-11-12-19(2)21(17-18)28-13-15-29(16-14-28)22(20-9-7-6-8-10-20)23-25-26-27-30(23)24(3,4)5/h6-12,17,22H,13-16H2,1-5H3.
What are the key properties of 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine?
1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine has a molecular weight of 404.56 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine is sourced from PubChem (CID 43812238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).