1-[3-[1-(2-fluoroethyl)triazol-4-yl]propyl]-4-pyridin-2-ylpiperazine

C16H23FN6 — CID 71294032

IUPAC1-[3-[1-(2-fluoroethyl)triazol-4-yl]propyl]-4-pyridin-2-ylpiperazine
SMILESFCCn1cc(CCCN2CCN(c3ccccn3)CC2)nn1
InChIInChI=1S/C16H23FN6/c17-6-9-23-14-15(19-20-23)4-3-8-21-10-12-22(13-11-21)16-5-1-2-7-18-16/h1-2,5,7,14H,3-4,6,8-13H2
InChIKeyYHZCQDVCUDURPI-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.40
Rot. Bonds7

About 1-[3-[1-(2-fluoroethyl)triazol-4-yl]propyl]-4-pyridin-2-ylpiperazine

1-[3-[1-(2-fluoroethyl)triazol-4-yl]propyl]-4-pyridin-2-ylpiperazine (PubChem CID 71294032) has the molecular formula C16H23FN6 and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[3-[1-(2-fluoroethyl)triazol-4-yl]propyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[3-[1-(2-fluoroethyl)triazol-4-yl]propyl]-4-pyridin-2-ylpiperazine
PubChem CID71294032
Molecular FormulaC16H23FN6
Molecular Weight318.40 g/mol
Exact Mass318.20
IUPAC Name1-[3-[1-(2-fluoroethyl)triazol-4-yl]propyl]-4-pyridin-2-ylpiperazine
SMILESFCCn1cc(CCCN2CCN(c3ccccn3)CC2)nn1
InChIInChI=1S/C16H23FN6/c17-6-9-23-14-15(19-20-23)4-3-8-21-10-12-22(13-11-21)16-5-1-2-7-18-16/h1-2,5,7,14H,3-4,6,8-13H2
InChIKeyYHZCQDVCUDURPI-UHFFFAOYSA-N
XLogP1.40
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[1-(2-fluoroethyl)triazol-4-yl]propyl]-4-pyridin-2-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]-4-pyridin-2-ylpiperazine
CID 71294228
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]quinoline
CID 19909649
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline
CID 60860602
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(2-fluoroethyl)triazol-4-yl]propyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[3-[1-(2-fluoroethyl)triazol-4-yl]propyl]-4-pyridin-2-ylpiperazine (CID 71294032) is 1-[3-[1-(2-fluoroethyl)triazol-4-yl]propyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[3-[1-(2-fluoroethyl)triazol-4-yl]propyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[3-[1-(2-fluoroethyl)triazol-4-yl]propyl]-4-pyridin-2-ylpiperazine is FCCn1cc(CCCN2CCN(c3ccccn3)CC2)nn1.
What is the InChIKey of 1-[3-[1-(2-fluoroethyl)triazol-4-yl]propyl]-4-pyridin-2-ylpiperazine?
The InChIKey is YHZCQDVCUDURPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN6/c17-6-9-23-14-15(19-20-23)4-3-8-21-10-12-22(13-11-21)16-5-1-2-7-18-16/h1-2,5,7,14H,3-4,6,8-13H2.
What are the key properties of 1-[3-[1-(2-fluoroethyl)triazol-4-yl]propyl]-4-pyridin-2-ylpiperazine?
1-[3-[1-(2-fluoroethyl)triazol-4-yl]propyl]-4-pyridin-2-ylpiperazine has a molecular weight of 318.40 g/mol, XLogP of 1.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2-fluoroethyl)triazol-4-yl]propyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 71294032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).