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

C16H19ClFN3 — CID 120768605

IUPAC2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
SMILESCl.Fc1cccc(C2CNCCN2Cc2ccncc2)c1
InChIInChI=1S/C16H18FN3.ClH/c17-15-3-1-2-14(10-15)16-11-19-8-9-20(16)12-13-4-6-18-7-5-13;/h1-7,10,16,19H,8-9,11-12H2;1H
InChIKeyGVOKDZPKGDNUQS-UHFFFAOYSA-N
MW307.80 g/mol
LogP2.79
Rot. Bonds3

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

2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride (PubChem CID 120768605) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
PubChem CID120768605
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC Name2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
SMILESCl.Fc1cccc(C2CNCCN2Cc2ccncc2)c1
InChIInChI=1S/C16H18FN3.ClH/c17-15-3-1-2-14(10-15)16-11-19-8-9-20(16)12-13-4-6-18-7-5-13;/h1-7,10,16,19H,8-9,11-12H2;1H
InChIKeyGVOKDZPKGDNUQS-UHFFFAOYSA-N
XLogP2.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride 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-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 120756562
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120768443
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 120846511
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 120910881
1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride?
The IUPAC name of 2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride (CID 120768605) is 2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride?
The canonical SMILES for 2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride is Cl.Fc1cccc(C2CNCCN2Cc2ccncc2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride?
The InChIKey is GVOKDZPKGDNUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3.ClH/c17-15-3-1-2-14(10-15)16-11-19-8-9-20(16)12-13-4-6-18-7-5-13;/h1-7,10,16,19H,8-9,11-12H2;1H.
What are the key properties of 2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride?
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride has a molecular weight of 307.80 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride is sourced from PubChem (CID 120768605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).