1-(2,3-dimethylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine

C22H28N6 — CID 4990315

IUPAC1-(2,3-dimethylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
SMILESCc1cccc(N2CCN(Cc3nnnn3CCc3ccccc3)CC2)c1C
InChIInChI=1S/C22H28N6/c1-18-7-6-10-21(19(18)2)27-15-13-26(14-16-27)17-22-23-24-25-28(22)12-11-20-8-4-3-5-9-20/h3-10H,11-17H2,1-2H3
InChIKeyZXSDQNFDLNBALJ-UHFFFAOYSA-N
MW376.51 g/mol
LogP2.85
Rot. Bonds6

About 1-(2,3-dimethylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine

1-(2,3-dimethylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 4990315) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID4990315
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name1-(2,3-dimethylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
SMILESCc1cccc(N2CCN(Cc3nnnn3CCc3ccccc3)CC2)c1C
InChIInChI=1S/C22H28N6/c1-18-7-6-10-21(19(18)2)27-15-13-26(14-16-27)17-22-23-24-25-28(22)12-11-20-8-4-3-5-9-20/h3-10H,11-17H2,1-2H3
InChIKeyZXSDQNFDLNBALJ-UHFFFAOYSA-N
XLogP2.85
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 1449048
1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-4-ol
CID 1454747
1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazine
CID 1446129
1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine
CID 1446057
2-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 858122
1-benzyl-4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]methyl]piperazine
CID 3210595
3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 3195725
1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
CID 9311510
3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 3195814
3-[(R)-[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 1471158
N-[4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 3592343
1-(2,3-dimethylphenyl)-4-[(4-phenylphenyl)methyl]piperazine;oxalic acid
CID 163327680

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine (CID 4990315) is 1-(2,3-dimethylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine is Cc1cccc(N2CCN(Cc3nnnn3CCc3ccccc3)CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is ZXSDQNFDLNBALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-18-7-6-10-21(19(18)2)27-15-13-26(14-16-27)17-22-23-24-25-28(22)12-11-20-8-4-3-5-9-20/h3-10H,11-17H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine?
1-(2,3-dimethylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 376.51 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 4990315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).