1-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]-4-pyridin-2-ylpiperazine

C15H21FN6 — CID 71294228

IUPAC1-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]-4-pyridin-2-ylpiperazine
SMILESFCCn1cc(CCN2CCN(c3ccccn3)CC2)nn1
InChIInChI=1S/C15H21FN6/c16-5-8-22-13-14(18-19-22)4-7-20-9-11-21(12-10-20)15-3-1-2-6-17-15/h1-3,6,13H,4-5,7-12H2
InChIKeyTUNDFWSDZLKMTM-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.01
Rot. Bonds6

About 1-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]-4-pyridin-2-ylpiperazine

1-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]-4-pyridin-2-ylpiperazine (PubChem CID 71294228) has the molecular formula C15H21FN6 and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]-4-pyridin-2-ylpiperazine
PubChem CID71294228
Molecular FormulaC15H21FN6
Molecular Weight304.37 g/mol
Exact Mass304.18
IUPAC Name1-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]-4-pyridin-2-ylpiperazine
SMILESFCCn1cc(CCN2CCN(c3ccccn3)CC2)nn1
InChIInChI=1S/C15H21FN6/c16-5-8-22-13-14(18-19-22)4-7-20-9-11-21(12-10-20)15-3-1-2-6-17-15/h1-3,6,13H,4-5,7-12H2
InChIKeyTUNDFWSDZLKMTM-UHFFFAOYSA-N
XLogP1.01
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[1-(2-fluoroethyl)triazol-4-yl]propyl]-4-pyridin-2-ylpiperazine
CID 71294032
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline
CID 60860602
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridin-3-amine
CID 60892817
2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine
CID 116642361

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]-4-pyridin-2-ylpiperazine (CID 71294228) is 1-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]-4-pyridin-2-ylpiperazine is FCCn1cc(CCN2CCN(c3ccccn3)CC2)nn1.
What is the InChIKey of 1-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]-4-pyridin-2-ylpiperazine?
The InChIKey is TUNDFWSDZLKMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN6/c16-5-8-22-13-14(18-19-22)4-7-20-9-11-21(12-10-20)15-3-1-2-6-17-15/h1-3,6,13H,4-5,7-12H2.
What are the key properties of 1-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]-4-pyridin-2-ylpiperazine?
1-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]-4-pyridin-2-ylpiperazine has a molecular weight of 304.37 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 71294228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).