[1-[[5-(3-methoxyanilino)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol

C17H25N5O2 — CID 167991758

IUPAC[1-[[5-(3-methoxyanilino)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol
SMILESCOc1cccc(Nc2nnc(CN3CCC(CO)CC3)n2C)c1
InChIInChI=1S/C17H25N5O2/c1-21-16(11-22-8-6-13(12-23)7-9-22)19-20-17(21)18-14-4-3-5-15(10-14)24-2/h3-5,10,13,23H,6-9,11-12H2,1-2H3,(H,18,20)
InChIKeyUNUUWRJBTGMEEM-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.77
Rot. Bonds6

About [1-[[5-(3-methoxyanilino)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol

[1-[[5-(3-methoxyanilino)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol (PubChem CID 167991758) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is [1-[[5-(3-methoxyanilino)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[5-(3-methoxyanilino)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol
PubChem CID167991758
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name[1-[[5-(3-methoxyanilino)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol
SMILESCOc1cccc(Nc2nnc(CN3CCC(CO)CC3)n2C)c1
InChIInChI=1S/C17H25N5O2/c1-21-16(11-22-8-6-13(12-23)7-9-22)19-20-17(21)18-14-4-3-5-15(10-14)24-2/h3-5,10,13,23H,6-9,11-12H2,1-2H3,(H,18,20)
InChIKeyUNUUWRJBTGMEEM-UHFFFAOYSA-N
XLogP1.77
TPSA75.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[[5-(3-methoxyanilino)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol with MolForge

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Related Compounds

4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 60642548
N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921880
N-(3-methoxyphenyl)-1-(1,3,4-thiadiazol-2-ylmethyl)piperidin-4-amine
CID 138027618
N-(3-methoxyphenyl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanamide
CID 42099100
1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111086827
1-(3-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086732
N-(3-methoxyphenyl)-3-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanamide
CID 136529358
[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]methanol
CID 60768510
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
CID 54794443
[1-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 110932857

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(3-methoxyanilino)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[5-(3-methoxyanilino)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol (CID 167991758) is [1-[[5-(3-methoxyanilino)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[5-(3-methoxyanilino)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[5-(3-methoxyanilino)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol is COc1cccc(Nc2nnc(CN3CCC(CO)CC3)n2C)c1.
What is the InChIKey of [1-[[5-(3-methoxyanilino)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol?
The InChIKey is UNUUWRJBTGMEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-21-16(11-22-8-6-13(12-23)7-9-22)19-20-17(21)18-14-4-3-5-15(10-14)24-2/h3-5,10,13,23H,6-9,11-12H2,1-2H3,(H,18,20).
What are the key properties of [1-[[5-(3-methoxyanilino)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol?
[1-[[5-(3-methoxyanilino)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol has a molecular weight of 331.42 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(3-methoxyanilino)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 167991758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).