1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine

C20H24N6 — CID 133458550

IUPAC1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCCC1CN(c2nnnn2-c2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C20H24N6/c1-2-18-16-25(14-13-24(18)15-17-9-5-3-6-10-17)20-21-22-23-26(20)19-11-7-4-8-12-19/h3-12,18H,2,13-16H2,1H3
InChIKeyZNHQUCYGRRDFDA-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.76
Rot. Bonds5

About 1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine

1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 133458550) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID133458550
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCCC1CN(c2nnnn2-c2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C20H24N6/c1-2-18-16-25(14-13-24(18)15-17-9-5-3-6-10-17)20-21-22-23-26(20)19-11-7-4-8-12-19/h3-12,18H,2,13-16H2,1H3
InChIKeyZNHQUCYGRRDFDA-UHFFFAOYSA-N
XLogP2.76
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine
CID 50965439
(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 102986512
1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
CID 97262694
(1R,5R)-3-(1-phenyltetrazol-5-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane
CID 72904522
N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 55084372
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 114802333
(2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine
CID 95332993
ethane;methane;tris(1-(1-phenyltetrazol-5-yl)-4-propan-2-ylpiperazine);tris(1,1,1-trideuterioethane)
CID 162039612
5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole
CID 133341877

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine (CID 133458550) is 1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine is CCC1CN(c2nnnn2-c2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is ZNHQUCYGRRDFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-2-18-16-25(14-13-24(18)15-17-9-5-3-6-10-17)20-21-22-23-26(20)19-11-7-4-8-12-19/h3-12,18H,2,13-16H2,1H3.
What are the key properties of 1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine?
1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 348.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-ethyl-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 133458550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).