1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-4-[(4-methylphenyl)methyl]piperazine

C23H29N5O — CID 155804090

IUPAC1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-4-[(4-methylphenyl)methyl]piperazine
SMILESCOc1ccc(Cn2cc(CN3CCN(Cc4ccc(C)cc4)CC3)nn2)cc1
InChIInChI=1S/C23H29N5O/c1-19-3-5-20(6-4-19)15-26-11-13-27(14-12-26)17-22-18-28(25-24-22)16-21-7-9-23(29-2)10-8-21/h3-10,18H,11-17H2,1-2H3
InChIKeyLUBXMVWTPTZFES-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.96
Rot. Bonds7

About 1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-4-[(4-methylphenyl)methyl]piperazine

1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-4-[(4-methylphenyl)methyl]piperazine (PubChem CID 155804090) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-4-[(4-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-4-[(4-methylphenyl)methyl]piperazine
PubChem CID155804090
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-4-[(4-methylphenyl)methyl]piperazine
SMILESCOc1ccc(Cn2cc(CN3CCN(Cc4ccc(C)cc4)CC3)nn2)cc1
InChIInChI=1S/C23H29N5O/c1-19-3-5-20(6-4-19)15-26-11-13-27(14-12-26)17-22-18-28(25-24-22)16-21-7-9-23(29-2)10-8-21/h3-10,18H,11-17H2,1-2H3
InChIKeyLUBXMVWTPTZFES-UHFFFAOYSA-N
XLogP2.96
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-4-[(4-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-4-[(4-methylphenyl)methyl]piperazine (CID 155804090) is 1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-4-[(4-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-4-[(4-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-4-[(4-methylphenyl)methyl]piperazine is COc1ccc(Cn2cc(CN3CCN(Cc4ccc(C)cc4)CC3)nn2)cc1.
What is the InChIKey of 1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-4-[(4-methylphenyl)methyl]piperazine?
The InChIKey is LUBXMVWTPTZFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-19-3-5-20(6-4-19)15-26-11-13-27(14-12-26)17-22-18-28(25-24-22)16-21-7-9-23(29-2)10-8-21/h3-10,18H,11-17H2,1-2H3.
What are the key properties of 1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-4-[(4-methylphenyl)methyl]piperazine?
1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-4-[(4-methylphenyl)methyl]piperazine has a molecular weight of 391.52 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-4-[(4-methylphenyl)methyl]piperazine is sourced from PubChem (CID 155804090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).