1-(2-methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine

C23H30N6O — CID 653974

IUPAC1-(2-methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine
SMILESCOc1ccccc1N1CCN(C(c2ccc(C)cc2)c2nnnn2C(C)C)CC1
InChIInChI=1S/C23H30N6O/c1-17(2)29-23(24-25-26-29)22(19-11-9-18(3)10-12-19)28-15-13-27(14-16-28)20-7-5-6-8-21(20)30-4/h5-12,17,22H,13-16H2,1-4H3
InChIKeyHTDBSXZYBAPPEH-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.48
Rot. Bonds6

About 1-(2-methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine

1-(2-methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine (PubChem CID 653974) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine
PubChem CID653974
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name1-(2-methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine
SMILESCOc1ccccc1N1CCN(C(c2ccc(C)cc2)c2nnnn2C(C)C)CC1
InChIInChI=1S/C23H30N6O/c1-17(2)29-23(24-25-26-29)22(19-11-9-18(3)10-12-19)28-15-13-27(14-16-28)20-7-5-6-8-21(20)30-4/h5-12,17,22H,13-16H2,1-4H3
InChIKeyHTDBSXZYBAPPEH-UHFFFAOYSA-N
XLogP3.48
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine (CID 653974) is 1-(2-methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine is COc1ccccc1N1CCN(C(c2ccc(C)cc2)c2nnnn2C(C)C)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine?
The InChIKey is HTDBSXZYBAPPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-17(2)29-23(24-25-26-29)22(19-11-9-18(3)10-12-19)28-15-13-27(14-16-28)20-7-5-6-8-21(20)30-4/h5-12,17,22H,13-16H2,1-4H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine?
1-(2-methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine has a molecular weight of 406.53 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yltetrazol-5-yl)methyl]piperazine is sourced from PubChem (CID 653974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).