1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride

C16H19ClFN3 — CID 120754578

IUPAC1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.Fc1ccc(CN2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C16H18FN3.ClH/c17-15-5-3-13(4-6-15)12-20-9-8-19-11-16(20)14-2-1-7-18-10-14;/h1-7,10,16,19H,8-9,11-12H2;1H
InChIKeyIWFWBJFIPKIKIZ-UHFFFAOYSA-N
MW307.80 g/mol
LogP2.79
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride

1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride (PubChem CID 120754578) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
PubChem CID120754578
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC Name1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.Fc1ccc(CN2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C16H18FN3.ClH/c17-15-5-3-13(4-6-15)12-20-9-8-19-11-16(20)14-2-1-7-18-10-14;/h1-7,10,16,19H,8-9,11-12H2;1H
InChIKeyIWFWBJFIPKIKIZ-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 1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;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

2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120846431
methyl 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzoate;hydrochloride
CID 120767725
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120768312
1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120768241
1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120846483
1-[(3-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768370
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 120756562

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride (CID 120754578) is 1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride is Cl.Fc1ccc(CN2CCNCC2c2cccnc2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The InChIKey is IWFWBJFIPKIKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3.ClH/c17-15-5-3-13(4-6-15)12-20-9-8-19-11-16(20)14-2-1-7-18-10-14;/h1-7,10,16,19H,8-9,11-12H2;1H.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;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 1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride is sourced from PubChem (CID 120754578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).