1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine

C15H20FN5 — CID 76684214

IUPAC1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
SMILESFc1cccc(-n2cc(NCCN3CCCCC3)nn2)c1
InChIInChI=1S/C15H20FN5/c16-13-5-4-6-14(11-13)21-12-15(18-19-21)17-7-10-20-8-2-1-3-9-20/h4-6,11-12,17H,1-3,7-10H2
InChIKeyXKLFAHZMALMKGF-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.30
Rot. Bonds5

About 1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine

1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine (PubChem CID 76684214) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
PubChem CID76684214
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
SMILESFc1cccc(-n2cc(NCCN3CCCCC3)nn2)c1
InChIInChI=1S/C15H20FN5/c16-13-5-4-6-14(11-13)21-12-15(18-19-21)17-7-10-20-8-2-1-3-9-20/h4-6,11-12,17H,1-3,7-10H2
InChIKeyXKLFAHZMALMKGF-UHFFFAOYSA-N
XLogP2.30
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76073628
1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683680
1-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76683785
N-[2-(azepan-1-yl)ethyl]-1-(3-fluorophenyl)triazol-4-amine
CID 76683877
1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683885
1-[(3-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683976
N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1-(3-fluorophenyl)triazol-4-amine
CID 76683988
1-(3-fluorophenyl)-N-[2-(1,4-oxazepan-4-yl)ethyl]triazol-4-amine
CID 76684092
1-[(3,4-difluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684100
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684104
1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine
CID 76684206
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 76684208

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine (CID 76684214) is 1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine is Fc1cccc(-n2cc(NCCN3CCCCC3)nn2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The InChIKey is XKLFAHZMALMKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c16-13-5-4-6-14(11-13)21-12-15(18-19-21)17-7-10-20-8-2-1-3-9-20/h4-6,11-12,17H,1-3,7-10H2.
What are the key properties of 1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine?
1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine has a molecular weight of 289.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine is sourced from PubChem (CID 76684214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).