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

C14H23F3N4O — CID 50948143

IUPAC[4-methyl-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1CC1CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C14H23F3N4O/c1-20-12(18-19-13(20)10-22)9-11-3-7-21(8-4-11)6-2-5-14(15,16)17/h11,22H,2-10H2,1H3
InChIKeyBKZPQSXMJQRHBT-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.90
Rot. Bonds6

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

[4-methyl-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 50948143) has the molecular formula C14H23F3N4O and a molecular weight of 320.36 g/mol. Its IUPAC name is [4-methyl-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol
PubChem CID50948143
Molecular FormulaC14H23F3N4O
Molecular Weight320.36 g/mol
Exact Mass320.18
IUPAC Name[4-methyl-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1CC1CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C14H23F3N4O/c1-20-12(18-19-13(20)10-22)9-11-3-7-21(8-4-11)6-2-5-14(15,16)17/h11,22H,2-10H2,1H3
InChIKeyBKZPQSXMJQRHBT-UHFFFAOYSA-N
XLogP1.90
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[({5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)(methyl)amino]ethanol
CID 70710980
2-[{[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}(methyl)amino]ethanol
CID 70738024
[6-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
CID 90300120
4-[4-(Difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
CID 176691959
1-[3-[(1-methylpiperidin-4-yl)methyl]-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-3-(methylthio)propan-1-ol
CID 72846962
1-({4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)piperidin-4-ol
CID 72867430
1-[[5-Propan-2-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidin-3-ol
CID 72923951
3-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-2-ol
CID 80447963
3-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-ol
CID 80447993
2-Amino-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
CID 81250562
[4-Tert-butyl-5-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-yl]methanol
CID 81934215
[5-(4,4-Difluorocyclohexyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 81934435

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol (CID 50948143) is [4-methyl-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1CC1CCN(CCCC(F)(F)F)CC1.
What is the InChIKey of [4-methyl-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is BKZPQSXMJQRHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4O/c1-20-12(18-19-13(20)10-22)9-11-3-7-21(8-4-11)6-2-5-14(15,16)17/h11,22H,2-10H2,1H3.
What are the key properties of [4-methyl-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol?
[4-methyl-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 320.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[[1-(4,4,4-trifluorobutyl)piperidin-4-yl]methyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 50948143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).