1-[(4-methoxyphenyl)methyl]-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine

C23H28N4O2 — CID 155536926

IUPAC1-[(4-methoxyphenyl)methyl]-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine
SMILESCOc1ccc(Cc2cn(C3CCN(Cc4ccc(OC)cc4)CC3)nn2)cc1
InChIInChI=1S/C23H28N4O2/c1-28-22-7-3-18(4-8-22)15-20-17-27(25-24-20)21-11-13-26(14-12-21)16-19-5-9-23(29-2)10-6-19/h3-10,17,21H,11-16H2,1-2H3
InChIKeyYCGZQZWMOZXPDT-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.72
Rot. Bonds7

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

1-[(4-methoxyphenyl)methyl]-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine (PubChem CID 155536926) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine
PubChem CID155536926
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine
SMILESCOc1ccc(Cc2cn(C3CCN(Cc4ccc(OC)cc4)CC3)nn2)cc1
InChIInChI=1S/C23H28N4O2/c1-28-22-7-3-18(4-8-22)15-20-17-27(25-24-20)21-11-13-26(14-12-21)16-19-5-9-23(29-2)10-6-19/h3-10,17,21H,11-16H2,1-2H3
InChIKeyYCGZQZWMOZXPDT-UHFFFAOYSA-N
XLogP3.72
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine (CID 155536926) is 1-[(4-methoxyphenyl)methyl]-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine is COc1ccc(Cc2cn(C3CCN(Cc4ccc(OC)cc4)CC3)nn2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine?
The InChIKey is YCGZQZWMOZXPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-28-22-7-3-18(4-8-22)15-20-17-27(25-24-20)21-11-13-26(14-12-21)16-19-5-9-23(29-2)10-6-19/h3-10,17,21H,11-16H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine?
1-[(4-methoxyphenyl)methyl]-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine has a molecular weight of 392.50 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine is sourced from PubChem (CID 155536926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).