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

C15H21N5O — CID 102799233

IUPAC3-[3-[4-(1-aminoethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol
SMILESCC(N)C1CCN(c2n[nH]c(-c3cccc(O)c3)n2)CC1
InChIInChI=1S/C15H21N5O/c1-10(16)11-5-7-20(8-6-11)15-17-14(18-19-15)12-3-2-4-13(21)9-12/h2-4,9-11,21H,5-8,16H2,1H3,(H,17,18,19)
InChIKeyJFGQDMDLJGYQLY-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.74
Rot. Bonds3

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

3-[3-[4-(1-aminoethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol (PubChem CID 102799233) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-[3-[4-(1-aminoethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-[4-(1-aminoethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol
PubChem CID102799233
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-[3-[4-(1-aminoethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol
SMILESCC(N)C1CCN(c2n[nH]c(-c3cccc(O)c3)n2)CC1
InChIInChI=1S/C15H21N5O/c1-10(16)11-5-7-20(8-6-11)15-17-14(18-19-15)12-3-2-4-13(21)9-12/h2-4,9-11,21H,5-8,16H2,1H3,(H,17,18,19)
InChIKeyJFGQDMDLJGYQLY-UHFFFAOYSA-N
XLogP1.74
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[5-(4-iodophenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799263
1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799118
1-[1-[5-(4-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799213
4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 157015654
4-[3-(4-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]benzene-1,2-diol
CID 136904589
1-[1-[5-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 103400511
3-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]benzonitrile
CID 102800422
1-[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]ethanamine
CID 102799146
1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799212
1-[1-(5-heptyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]ethanamine
CID 102799158
4-[5-(3-butoxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 162629868
1-[5-(3-methoxy-4-methylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793856

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(1-aminoethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol?
The IUPAC name of 3-[3-[4-(1-aminoethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol (CID 102799233) is 3-[3-[4-(1-aminoethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol.
What is the SMILES notation for 3-[3-[4-(1-aminoethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol?
The canonical SMILES for 3-[3-[4-(1-aminoethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol is CC(N)C1CCN(c2n[nH]c(-c3cccc(O)c3)n2)CC1.
What is the InChIKey of 3-[3-[4-(1-aminoethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol?
The InChIKey is JFGQDMDLJGYQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(16)11-5-7-20(8-6-11)15-17-14(18-19-15)12-3-2-4-13(21)9-12/h2-4,9-11,21H,5-8,16H2,1H3,(H,17,18,19).
What are the key properties of 3-[3-[4-(1-aminoethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol?
3-[3-[4-(1-aminoethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol has a molecular weight of 287.37 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(1-aminoethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol is sourced from PubChem (CID 102799233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).