N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine

C16H20F3N5 — CID 76684208

IUPACN-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine
SMILESFc1ccc(Cn2cc(NCCN3CCC(F)(F)CC3)nn2)cc1
InChIInChI=1S/C16H20F3N5/c17-14-3-1-13(2-4-14)11-24-12-15(21-22-24)20-7-10-23-8-5-16(18,19)6-9-23/h1-4,12,20H,5-11H2
InChIKeyUYXWQOJGQCLAEC-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.61
Rot. Bonds6

About N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine

N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine (PubChem CID 76684208) has the molecular formula C16H20F3N5 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine.

Molecular Properties

Compound NameN-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine
PubChem CID76684208
Molecular FormulaC16H20F3N5
Molecular Weight339.37 g/mol
Exact Mass339.17
IUPAC NameN-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine
SMILESFc1ccc(Cn2cc(NCCN3CCC(F)(F)CC3)nn2)cc1
InChIInChI=1S/C16H20F3N5/c17-14-3-1-13(2-4-14)11-24-12-15(21-22-24)20-7-10-23-8-5-16(18,19)6-9-23/h1-4,12,20H,5-11H2
InChIKeyUYXWQOJGQCLAEC-UHFFFAOYSA-N
XLogP2.61
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683678
N-[2-(azepan-1-yl)ethyl]-1-benzyltriazol-4-amine
CID 76683883
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-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine
CID 76683978
1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76684096
1-[(3,4-difluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684100
1-[(3,4-difluorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine
CID 76684202
1-(3,4-difluorophenyl)-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine
CID 76684206
1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684214
1-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684294
1-(3,4-difluorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684296

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine?
The IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine (CID 76684208) is N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine.
What is the SMILES notation for N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine?
The canonical SMILES for N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine is Fc1ccc(Cn2cc(NCCN3CCC(F)(F)CC3)nn2)cc1.
What is the InChIKey of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine?
The InChIKey is UYXWQOJGQCLAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5/c17-14-3-1-13(2-4-14)11-24-12-15(21-22-24)20-7-10-23-8-5-16(18,19)6-9-23/h1-4,12,20H,5-11H2.
What are the key properties of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine?
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine has a molecular weight of 339.37 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine is sourced from PubChem (CID 76684208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).