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

C22H26N4O — CID 155524285

IUPAC4-(4-benzyltriazol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CN2CCC(n3cc(Cc4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C22H26N4O/c1-27-22-9-7-19(8-10-22)16-25-13-11-21(12-14-25)26-17-20(23-24-26)15-18-5-3-2-4-6-18/h2-10,17,21H,11-16H2,1H3
InChIKeyZEKMBGQEZDKGIK-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.71
Rot. Bonds6

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

4-(4-benzyltriazol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine (PubChem CID 155524285) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-(4-benzyltriazol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(4-benzyltriazol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine
PubChem CID155524285
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name4-(4-benzyltriazol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CN2CCC(n3cc(Cc4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C22H26N4O/c1-27-22-9-7-19(8-10-22)16-25-13-11-21(12-14-25)26-17-20(23-24-26)15-18-5-3-2-4-6-18/h2-10,17,21H,11-16H2,1H3
InChIKeyZEKMBGQEZDKGIK-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 4-(4-benzyltriazol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine?
The IUPAC name of 4-(4-benzyltriazol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine (CID 155524285) is 4-(4-benzyltriazol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-(4-benzyltriazol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-(4-benzyltriazol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine is COc1ccc(CN2CCC(n3cc(Cc4ccccc4)nn3)CC2)cc1.
What is the InChIKey of 4-(4-benzyltriazol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine?
The InChIKey is ZEKMBGQEZDKGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-27-22-9-7-19(8-10-22)16-25-13-11-21(12-14-25)26-17-20(23-24-26)15-18-5-3-2-4-6-18/h2-10,17,21H,11-16H2,1H3.
What are the key properties of 4-(4-benzyltriazol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine?
4-(4-benzyltriazol-1-yl)-1-[(4-methoxyphenyl)methyl]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 4-(4-benzyltriazol-1-yl)-1-[(4-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 155524285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).