1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine

C24H32N6 — CID 3208886

IUPAC1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(C(c3ccccc3)c3nnnn3C(C)(C)C)CC2)c1C
InChIInChI=1S/C24H32N6/c1-18-10-9-13-21(19(18)2)28-14-16-29(17-15-28)22(20-11-7-6-8-12-20)23-25-26-27-30(23)24(3,4)5/h6-13,22H,14-17H2,1-5H3
InChIKeyFBIJPBLKGNNQOP-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.96
Rot. Bonds4

About 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine

1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine (PubChem CID 3208886) 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-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine
PubChem CID3208886
Molecular FormulaC24H32N6
Molecular Weight404.56 g/mol
Exact Mass404.27
IUPAC Name1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(C(c3ccccc3)c3nnnn3C(C)(C)C)CC2)c1C
InChIInChI=1S/C24H32N6/c1-18-10-9-13-21(19(18)2)28-14-16-29(17-15-28)22(20-11-7-6-8-12-20)23-25-26-27-30(23)24(3,4)5/h6-13,22H,14-17H2,1-5H3
InChIKeyFBIJPBLKGNNQOP-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-[(1-Tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-4-(2,3-dimethylphenyl)piperazine
CID 645264
(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
1-(2,3-Dimethyl-phenyl)-4-{phenyl-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-piperazine
CID 647989
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-Cyclohexyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-2,3-dihydro-1H-indole
CID 3173811
1-[1-(1-Tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine
CID 3208847
1-[1-(1-Isopropyl-1H-tetrazol-5-yl)-3-methyl-butyl]-4-phenyl-piperazine
CID 3209417
1-[(4-Fluoro-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-1,2,3,4-tetrahydro-quinoline
CID 3213453

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine (CID 3208886) is 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine is Cc1cccc(N2CCN(C(c3ccccc3)c3nnnn3C(C)(C)C)CC2)c1C.
What is the InChIKey of 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is FBIJPBLKGNNQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6/c1-18-10-9-13-21(19(18)2)28-14-16-29(17-15-28)22(20-11-7-6-8-12-20)23-25-26-27-30(23)24(3,4)5/h6-13,22H,14-17H2,1-5H3.
What are the key properties of 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-dimethylphenyl)piperazine?
1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-(2,3-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-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 3208886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).