1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazine

C20H23ClN6 — CID 1446129

IUPAC1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazine
SMILESCc1ccc(Cl)cc1N1CCN(Cc2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C20H23ClN6/c1-16-7-8-18(21)13-19(16)26-11-9-25(10-12-26)15-20-22-23-24-27(20)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3
InChIKeyBGXMPXZMOAEGEI-UHFFFAOYSA-N
MW382.90 g/mol
LogP3.01
Rot. Bonds5

About 1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazine

1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazine (PubChem CID 1446129) has the molecular formula C20H23ClN6 and a molecular weight of 382.90 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazine
PubChem CID1446129
Molecular FormulaC20H23ClN6
Molecular Weight382.90 g/mol
Exact Mass382.17
IUPAC Name1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazine
SMILESCc1ccc(Cl)cc1N1CCN(Cc2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C20H23ClN6/c1-16-7-8-18(21)13-19(16)26-11-9-25(10-12-26)15-20-22-23-24-27(20)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3
InChIKeyBGXMPXZMOAEGEI-UHFFFAOYSA-N
XLogP3.01
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chloro-2-methylphenyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 1444391
1-(5-chloro-2-methylphenyl)-4-(pyridin-4-ylmethyl)piperazine
CID 171130105
1-(5-chloro-2-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine
CID 78845508
1-(2,3-dimethylphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 4990315
4,7-bis[(1-benzyltetrazol-5-yl)methyl]-1,4,7-triazonane-1-carbaldehyde
CID 53310713
3-[(R)-(1-benzyltetrazol-5-yl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-8-methyl-1H-quinolin-2-one
CID 1158410
1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine
CID 78828337
1-(5-chloro-2-methylphenyl)-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 1446727
[3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-1,2-oxazol-5-yl]methanol
CID 166308022
(2R,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94017567
(2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94017565
(3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine
CID 104975221

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazine?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazine (CID 1446129) is 1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazine.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazine?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazine is Cc1ccc(Cl)cc1N1CCN(Cc2nnnn2Cc2ccccc2)CC1.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazine?
The InChIKey is BGXMPXZMOAEGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6/c1-16-7-8-18(21)13-19(16)26-11-9-25(10-12-26)15-20-22-23-24-27(20)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3.
What are the key properties of 1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazine?
1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazine has a molecular weight of 382.90 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyltetrazol-5-yl)methyl]-4-(5-chloro-2-methylphenyl)piperazine is sourced from PubChem (CID 1446129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).