1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine

C16H17ClFN3 — CID 17376667

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine
SMILESFc1ccc(CN2CCN(c3ccccn3)CC2)c(Cl)c1
InChIInChI=1S/C16H17ClFN3/c17-15-11-14(18)5-4-13(15)12-20-7-9-21(10-8-20)16-3-1-2-6-19-16/h1-6,11H,7-10,12H2
InChIKeyYJXVAGWRAICUOS-UHFFFAOYSA-N
MW305.78 g/mol
LogP3.20
Rot. Bonds3

About 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine

1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 17376667) has the molecular formula C16H17ClFN3 and a molecular weight of 305.78 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID17376667
Molecular FormulaC16H17ClFN3
Molecular Weight305.78 g/mol
Exact Mass305.11
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine
SMILESFc1ccc(CN2CCN(c3ccccn3)CC2)c(Cl)c1
InChIInChI=1S/C16H17ClFN3/c17-15-11-14(18)5-4-13(15)12-20-7-9-21(10-8-20)16-3-1-2-6-19-16/h1-6,11H,7-10,12H2
InChIKeyYJXVAGWRAICUOS-UHFFFAOYSA-N
XLogP3.20
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2-chloro-4-fluorophenyl)methyl]-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-chloro-4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 45366948
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]pyridine-4-carboxamide
CID 51106897
2,3-dichloro-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol
CID 142099057
4-chloro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]aniline
CID 79557493
1-[2-(chloromethyl)-4-fluorophenyl]-4-pyridin-2-ylpiperazine
CID 43313513
8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 146025660
2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 9346935
2-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione
CID 19583337
1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine
CID 22194447
1-[(2-phenylphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 44756170
1-(benzenesulfonyl)-4-[(2-chloro-4-fluorophenyl)methyl]piperazine
CID 22204929
1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 22199130

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine (CID 17376667) is 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine is Fc1ccc(CN2CCN(c3ccccn3)CC2)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is YJXVAGWRAICUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3/c17-15-11-14(18)5-4-13(15)12-20-7-9-21(10-8-20)16-3-1-2-6-19-16/h1-6,11H,7-10,12H2.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine?
1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 305.78 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 17376667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).