4-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-1-yl]-1-methylpiperidine

C17H24N4O — CID 150117849

IUPAC4-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-1-yl]-1-methylpiperidine
SMILESCOc1ccc(Cc2nc(C)n(C3CCN(C)CC3)n2)cc1
InChIInChI=1S/C17H24N4O/c1-13-18-17(12-14-4-6-16(22-3)7-5-14)19-21(13)15-8-10-20(2)11-9-15/h4-7,15H,8-12H2,1-3H3
InChIKeyDYPYGNXVQGNABF-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.45
Rot. Bonds4

About 4-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-1-yl]-1-methylpiperidine

4-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-1-yl]-1-methylpiperidine (PubChem CID 150117849) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-1-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-1-yl]-1-methylpiperidine
PubChem CID150117849
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-1-yl]-1-methylpiperidine
SMILESCOc1ccc(Cc2nc(C)n(C3CCN(C)CC3)n2)cc1
InChIInChI=1S/C17H24N4O/c1-13-18-17(12-14-4-6-16(22-3)7-5-14)19-21(13)15-8-10-20(2)11-9-15/h4-7,15H,8-12H2,1-3H3
InChIKeyDYPYGNXVQGNABF-UHFFFAOYSA-N
XLogP2.45
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-1-yl]-1-methylpiperidine?
The IUPAC name of 4-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-1-yl]-1-methylpiperidine (CID 150117849) is 4-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-1-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-1-yl]-1-methylpiperidine?
The canonical SMILES for 4-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-1-yl]-1-methylpiperidine is COc1ccc(Cc2nc(C)n(C3CCN(C)CC3)n2)cc1.
What is the InChIKey of 4-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-1-yl]-1-methylpiperidine?
The InChIKey is DYPYGNXVQGNABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-18-17(12-14-4-6-16(22-3)7-5-14)19-21(13)15-8-10-20(2)11-9-15/h4-7,15H,8-12H2,1-3H3.
What are the key properties of 4-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-1-yl]-1-methylpiperidine?
4-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-1-yl]-1-methylpiperidine has a molecular weight of 300.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-1-yl]-1-methylpiperidine is sourced from PubChem (CID 150117849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).