2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride

C16H18Cl2FN3 — CID 120780146

IUPAC2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
SMILESCl.Fc1cncc(CN2CCNCC2c2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClFN3.ClH/c17-14-3-1-2-13(7-14)16-10-19-4-5-21(16)11-12-6-15(18)9-20-8-12;/h1-3,6-9,16,19H,4-5,10-11H2;1H
InChIKeyTTZMMYZOVLQFEP-UHFFFAOYSA-N
MW342.25 g/mol
LogP3.44
Rot. Bonds3

About 2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride

2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride (PubChem CID 120780146) has the molecular formula C16H18Cl2FN3 and a molecular weight of 342.25 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
PubChem CID120780146
Molecular FormulaC16H18Cl2FN3
Molecular Weight342.25 g/mol
Exact Mass341.09
IUPAC Name2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
SMILESCl.Fc1cncc(CN2CCNCC2c2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClFN3.ClH/c17-14-3-1-2-13(7-14)16-10-19-4-5-21(16)11-12-6-15(18)9-20-8-12;/h1-3,6-9,16,19H,4-5,10-11H2;1H
InChIKeyTTZMMYZOVLQFEP-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
2-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
2-(3-chlorophenyl)-1-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperazine
CID 120780133
2-(3-chlorophenyl)-1-[(1-propylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120780194
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine;hydrochloride
CID 120780080
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120780185
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride (CID 120780146) is 2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride is Cl.Fc1cncc(CN2CCNCC2c2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride?
The InChIKey is TTZMMYZOVLQFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3.ClH/c17-14-3-1-2-13(7-14)16-10-19-4-5-21(16)11-12-6-15(18)9-20-8-12;/h1-3,6-9,16,19H,4-5,10-11H2;1H.
What are the key properties of 2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride?
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride has a molecular weight of 342.25 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120780146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).