2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]pyridin-3-amine

C13H19F3N4O — CID 61490854

IUPAC2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]pyridin-3-amine
SMILESNc1cccnc1N1CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C13H19F3N4O/c14-13(15,16)10-21-9-8-19-4-6-20(7-5-19)12-11(17)2-1-3-18-12/h1-3H,4-10,17H2
InChIKeyUNHIFGQEGFUHPW-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.36
Rot. Bonds5

About 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]pyridin-3-amine

2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]pyridin-3-amine (PubChem CID 61490854) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]pyridin-3-amine
PubChem CID61490854
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]pyridin-3-amine
SMILESNc1cccnc1N1CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C13H19F3N4O/c14-13(15,16)10-21-9-8-19-4-6-20(7-5-19)12-11(17)2-1-3-18-12/h1-3H,4-10,17H2
InChIKeyUNHIFGQEGFUHPW-UHFFFAOYSA-N
XLogP1.36
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]pyridin-3-amine (CID 61490854) is 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]pyridin-3-amine is Nc1cccnc1N1CCN(CCOCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]pyridin-3-amine?
The InChIKey is UNHIFGQEGFUHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c14-13(15,16)10-21-9-8-19-4-6-20(7-5-19)12-11(17)2-1-3-18-12/h1-3H,4-10,17H2.
What are the key properties of 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]pyridin-3-amine?
2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]pyridin-3-amine has a molecular weight of 304.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 61490854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).