4-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine

C15H24N6O — CID 29086119

IUPAC4-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine
SMILESCOCc1cn(CC2CCN(Cc3ncc(C)[nH]3)CC2)nn1
InChIInChI=1S/C15H24N6O/c1-12-7-16-15(17-12)10-20-5-3-13(4-6-20)8-21-9-14(11-22-2)18-19-21/h7,9,13H,3-6,8,10-11H2,1-2H3,(H,16,17)
InChIKeyLORXXCMEOLMUTJ-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.37
Rot. Bonds6

About 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine

4-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine (PubChem CID 29086119) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine
PubChem CID29086119
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name4-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine
SMILESCOCc1cn(CC2CCN(Cc3ncc(C)[nH]3)CC2)nn1
InChIInChI=1S/C15H24N6O/c1-12-7-16-15(17-12)10-20-5-3-13(4-6-20)8-21-9-14(11-22-2)18-19-21/h7,9,13H,3-6,8,10-11H2,1-2H3,(H,16,17)
InChIKeyLORXXCMEOLMUTJ-UHFFFAOYSA-N
XLogP1.37
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine?
The IUPAC name of 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine (CID 29086119) is 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine.
What is the SMILES notation for 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine?
The canonical SMILES for 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine is COCc1cn(CC2CCN(Cc3ncc(C)[nH]3)CC2)nn1.
What is the InChIKey of 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine?
The InChIKey is LORXXCMEOLMUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-12-7-16-15(17-12)10-20-5-3-13(4-6-20)8-21-9-14(11-22-2)18-19-21/h7,9,13H,3-6,8,10-11H2,1-2H3,(H,16,17).
What are the key properties of 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine?
4-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine has a molecular weight of 304.40 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 29086119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).