1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine

C24H32N6O2 — CID 646026

IUPAC1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C24H32N6O2/c1-4-7-22(24-25-26-27-30(24)18-19-10-12-20(31-2)13-11-19)29-16-14-28(15-17-29)21-8-5-6-9-23(21)32-3/h5-6,8-13,22H,4,7,14-18H2,1-3H3
InChIKeyFDQPXONIZUKKOP-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.40
Rot. Bonds9

About 1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine

1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine (PubChem CID 646026) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine
PubChem CID646026
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C24H32N6O2/c1-4-7-22(24-25-26-27-30(24)18-19-10-12-20(31-2)13-11-19)29-16-14-28(15-17-29)21-8-5-6-9-23(21)32-3/h5-6,8-13,22H,4,7,14-18H2,1-3H3
InChIKeyFDQPXONIZUKKOP-UHFFFAOYSA-N
XLogP3.40
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine (CID 646026) is 1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine is CCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine?
The InChIKey is FDQPXONIZUKKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-4-7-22(24-25-26-27-30(24)18-19-10-12-20(31-2)13-11-19)29-16-14-28(15-17-29)21-8-5-6-9-23(21)32-3/h5-6,8-13,22H,4,7,14-18H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine?
1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine has a molecular weight of 436.56 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazine is sourced from PubChem (CID 646026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).