1-[(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine

C20H32N6O — CID 3209139

IUPAC1-[(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine
SMILESCCOc1ccc(C(c2nnnn2C(C)(C)CC)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H32N6O/c1-6-20(3,4)26-19(21-22-23-26)18(25-14-12-24(5)13-15-25)16-8-10-17(11-9-16)27-7-2/h8-11,18H,6-7,12-15H2,1-5H3
InChIKeyYWGCVPSXZUSYNX-UHFFFAOYSA-N
MW372.52 g/mol
LogP2.55
Rot. Bonds7

About 1-[(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine

1-[(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine (PubChem CID 3209139) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine
PubChem CID3209139
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC Name1-[(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine
SMILESCCOc1ccc(C(c2nnnn2C(C)(C)CC)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H32N6O/c1-6-20(3,4)26-19(21-22-23-26)18(25-14-12-24(5)13-15-25)16-8-10-17(11-9-16)27-7-2/h8-11,18H,6-7,12-15H2,1-5H3
InChIKeyYWGCVPSXZUSYNX-UHFFFAOYSA-N
XLogP2.55
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine (CID 3209139) is 1-[(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine is CCOc1ccc(C(c2nnnn2C(C)(C)CC)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine?
The InChIKey is YWGCVPSXZUSYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O/c1-6-20(3,4)26-19(21-22-23-26)18(25-14-12-24(5)13-15-25)16-8-10-17(11-9-16)27-7-2/h8-11,18H,6-7,12-15H2,1-5H3.
What are the key properties of 1-[(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine?
1-[(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine has a molecular weight of 372.52 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 3209139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).