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

C22H26N4O — CID 155535688

IUPAC1-benzyl-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine
SMILESCOc1ccc(Cc2cn(C3CCN(Cc4ccccc4)CC3)nn2)cc1
InChIInChI=1S/C22H26N4O/c1-27-22-9-7-18(8-10-22)15-20-17-26(24-23-20)21-11-13-25(14-12-21)16-19-5-3-2-4-6-19/h2-10,17,21H,11-16H2,1H3
InChIKeyHUNLLPPEYNXKAR-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.71
Rot. Bonds6

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

1-benzyl-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine (PubChem CID 155535688) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-benzyl-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine
PubChem CID155535688
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-benzyl-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine
SMILESCOc1ccc(Cc2cn(C3CCN(Cc4ccccc4)CC3)nn2)cc1
InChIInChI=1S/C22H26N4O/c1-27-22-9-7-18(8-10-22)15-20-17-26(24-23-20)21-11-13-25(14-12-21)16-19-5-3-2-4-6-19/h2-10,17,21H,11-16H2,1H3
InChIKeyHUNLLPPEYNXKAR-UHFFFAOYSA-N
XLogP3.71
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine?
The IUPAC name of 1-benzyl-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine (CID 155535688) is 1-benzyl-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine.
What is the SMILES notation for 1-benzyl-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine?
The canonical SMILES for 1-benzyl-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine is COc1ccc(Cc2cn(C3CCN(Cc4ccccc4)CC3)nn2)cc1.
What is the InChIKey of 1-benzyl-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine?
The InChIKey is HUNLLPPEYNXKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-27-22-9-7-18(8-10-22)15-20-17-26(24-23-20)21-11-13-25(14-12-21)16-19-5-3-2-4-6-19/h2-10,17,21H,11-16H2,1H3.
What are the key properties of 1-benzyl-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine?
1-benzyl-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine has a molecular weight of 362.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-[(4-methoxyphenyl)methyl]triazol-1-yl]piperidine is sourced from PubChem (CID 155535688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).