2-[1-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol

C15H24N6O — CID 45227984

IUPAC2-[1-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol
SMILESCc1ncc(CN2CCCC(Cn3cc(CCO)nn3)C2)[nH]1
InChIInChI=1S/C15H24N6O/c1-12-16-7-15(17-12)10-20-5-2-3-13(8-20)9-21-11-14(4-6-22)18-19-21/h7,11,13,22H,2-6,8-10H2,1H3,(H,16,17)
InChIKeyBRKTUUOCUCOGGH-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.76
Rot. Bonds6

About 2-[1-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol

2-[1-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol (PubChem CID 45227984) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-[1-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol
PubChem CID45227984
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name2-[1-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol
SMILESCc1ncc(CN2CCCC(Cn3cc(CCO)nn3)C2)[nH]1
InChIInChI=1S/C15H24N6O/c1-12-16-7-15(17-12)10-20-5-2-3-13(8-20)9-21-11-14(4-6-22)18-19-21/h7,11,13,22H,2-6,8-10H2,1H3,(H,16,17)
InChIKeyBRKTUUOCUCOGGH-UHFFFAOYSA-N
XLogP0.76
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol (CID 45227984) is 2-[1-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol is Cc1ncc(CN2CCCC(Cn3cc(CCO)nn3)C2)[nH]1.
What is the InChIKey of 2-[1-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol?
The InChIKey is BRKTUUOCUCOGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-12-16-7-15(17-12)10-20-5-2-3-13(8-20)9-21-11-14(4-6-22)18-19-21/h7,11,13,22H,2-6,8-10H2,1H3,(H,16,17).
What are the key properties of 2-[1-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol?
2-[1-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol has a molecular weight of 304.40 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 45227984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).