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

C14H18FN5O — CID 102793841

IUPAC1-[5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
SMILESCOc1cc(-c2nc(N3CCC(N)CC3)n[nH]2)ccc1F
InChIInChI=1S/C14H18FN5O/c1-21-12-8-9(2-3-11(12)15)13-17-14(19-18-13)20-6-4-10(16)5-7-20/h2-3,8,10H,4-7,16H2,1H3,(H,17,18,19)
InChIKeyMGEJOGYRZUTVRJ-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.55
Rot. Bonds3

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

1-[5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine (PubChem CID 102793841) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-[5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
PubChem CID102793841
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name1-[5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
SMILESCOc1cc(-c2nc(N3CCC(N)CC3)n[nH]2)ccc1F
InChIInChI=1S/C14H18FN5O/c1-21-12-8-9(2-3-11(12)15)13-17-14(19-18-13)20-6-4-10(16)5-7-20/h2-3,8,10H,4-7,16H2,1H3,(H,17,18,19)
InChIKeyMGEJOGYRZUTVRJ-UHFFFAOYSA-N
XLogP1.55
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-methoxy-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793856
1-[5-(3-bromo-4-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 107950153
4-[3-(4-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]benzene-1,2-diol
CID 136904589
5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 81283303
1-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793807
[1-[5-(3-fluoro-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800613
5-[3-(4-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one
CID 136758281
1-[5-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794368
1-[5-(2-fluoro-3-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793968
1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 114021099
1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793330
1-[5-(2,6-dimethyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793827

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
The IUPAC name of 1-[5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine (CID 102793841) is 1-[5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine is COc1cc(-c2nc(N3CCC(N)CC3)n[nH]2)ccc1F.
What is the InChIKey of 1-[5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
The InChIKey is MGEJOGYRZUTVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-21-12-8-9(2-3-11(12)15)13-17-14(19-18-13)20-6-4-10(16)5-7-20/h2-3,8,10H,4-7,16H2,1H3,(H,17,18,19).
What are the key properties of 1-[5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
1-[5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine has a molecular weight of 291.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine is sourced from PubChem (CID 102793841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).