1-(2-fluorophenyl)-4-(pyridin-3-ylmethyl)piperazine

C16H18FN3 — CID 750559

IUPAC1-(2-fluorophenyl)-4-(pyridin-3-ylmethyl)piperazine
SMILESFc1ccccc1N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C16H18FN3/c17-15-5-1-2-6-16(15)20-10-8-19(9-11-20)13-14-4-3-7-18-12-14/h1-7,12H,8-11,13H2
InChIKeyHMLZCLRZWXJAMW-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.54
Rot. Bonds3

About 1-(2-fluorophenyl)-4-(pyridin-3-ylmethyl)piperazine

1-(2-fluorophenyl)-4-(pyridin-3-ylmethyl)piperazine (PubChem CID 750559) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(pyridin-3-ylmethyl)piperazine
PubChem CID750559
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name1-(2-fluorophenyl)-4-(pyridin-3-ylmethyl)piperazine
SMILESFc1ccccc1N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C16H18FN3/c17-15-5-1-2-6-16(15)20-10-8-19(9-11-20)13-14-4-3-7-18-12-14/h1-7,12H,8-11,13H2
InChIKeyHMLZCLRZWXJAMW-UHFFFAOYSA-N
XLogP2.54
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-(pyridin-3-ylmethyl)piperazine (CID 750559) is 1-(2-fluorophenyl)-4-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-(pyridin-3-ylmethyl)piperazine is Fc1ccccc1N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-(pyridin-3-ylmethyl)piperazine?
The InChIKey is HMLZCLRZWXJAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c17-15-5-1-2-6-16(15)20-10-8-19(9-11-20)13-14-4-3-7-18-12-14/h1-7,12H,8-11,13H2.
What are the key properties of 1-(2-fluorophenyl)-4-(pyridin-3-ylmethyl)piperazine?
1-(2-fluorophenyl)-4-(pyridin-3-ylmethyl)piperazine has a molecular weight of 271.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 750559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).