3-fluoro-2-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol

C14H18FN5O — CID 136678085

IUPAC3-fluoro-2-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol
SMILESCNC1CCN(c2n[nH]c(-c3c(O)cccc3F)n2)CC1
InChIInChI=1S/C14H18FN5O/c1-16-9-5-7-20(8-6-9)14-17-13(18-19-14)12-10(15)3-2-4-11(12)21/h2-4,9,16,21H,5-8H2,1H3,(H,17,18,19)
InChIKeyIPQYIEIPOVHDCN-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.50
Rot. Bonds3

About 3-fluoro-2-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol

3-fluoro-2-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol (PubChem CID 136678085) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-fluoro-2-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol.

Molecular Properties

Compound Name3-fluoro-2-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol
PubChem CID136678085
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name3-fluoro-2-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol
SMILESCNC1CCN(c2n[nH]c(-c3c(O)cccc3F)n2)CC1
InChIInChI=1S/C14H18FN5O/c1-16-9-5-7-20(8-6-9)14-17-13(18-19-14)12-10(15)3-2-4-11(12)21/h2-4,9,16,21H,5-8H2,1H3,(H,17,18,19)
InChIKeyIPQYIEIPOVHDCN-UHFFFAOYSA-N
XLogP1.50
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3,5-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-3-fluorophenol
CID 136678095
1-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793807
1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800340
[1-[5-(2-bromo-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800788
3-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]benzonitrile
CID 102800422
1-[5-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800385
1-[5-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 103400516
[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 102800344
1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793968
(3R)-1-[5-(2-bromo-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797818
1-[5-(5-iodothiophen-3-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800470
1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794407

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol?
The IUPAC name of 3-fluoro-2-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol (CID 136678085) is 3-fluoro-2-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol.
What is the SMILES notation for 3-fluoro-2-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol?
The canonical SMILES for 3-fluoro-2-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol is CNC1CCN(c2n[nH]c(-c3c(O)cccc3F)n2)CC1.
What is the InChIKey of 3-fluoro-2-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol?
The InChIKey is IPQYIEIPOVHDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-16-9-5-7-20(8-6-9)14-17-13(18-19-14)12-10(15)3-2-4-11(12)21/h2-4,9,16,21H,5-8H2,1H3,(H,17,18,19).
What are the key properties of 3-fluoro-2-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol?
3-fluoro-2-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol has a molecular weight of 291.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol is sourced from PubChem (CID 136678085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).